Geometry & MOs

Info

ID:

84059

PubChem CID:

49863925

Reduced:

ClFNO5H19C22 (1)

Stoich.:

ABCD5E19F22 (1)

Weight, g/mol:

381.104418

ΔHf, kcal/mol:

-188.98

Dipole, Da:

7.3

IP(EA), eV:

 -8.46(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(aminomethyl)-6-fluoro-7-methyl-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15,17,19-nonaen-14-one;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)/C=C(/C1=CN(C2=C1C(=CC=C2)OC)CC3=C(C=CC=C3Cl)F)\O

DOS

IR

Vibrations