Geometry & MOs

Info

ID:

296861

PubChem CID:

117597389

Reduced:

O10C25H36 (3)

Stoich.:

A10B25C36 (3)

Weight, g/mol:

584.247557

ΔHf, kcal/mol:

-1253.54

Dipole, Da:

0.96

IP(EA), eV:

 -8.1(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine;5-methoxy-2,2-dimethyl-3,4-dihydrochromene-6-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(CC(C6(C5CC(CC6)(C)C)C(=O)OC7C(C(C(CO7)O)O)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)C)C)O)O)OC1C(C(C(CO1)O)O)O.COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3OC)O

DOS

IR

Vibrations