Geometry & MOs

Info

ID:

143732

PubChem CID:

53253226

Reduced:

NSO6C21H21 (1)

Stoich.:

ABC6D21E21 (1)

Weight, g/mol:

585.312205

ΔHf, kcal/mol:

-211.66

Dipole, Da:

5.96

IP(EA), eV:

 -9.05(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-chloro-N-[2-[4-[(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-1-yl]ethyl]-15-methyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4(9),5,7,10,14-hexaen-3-amine

Drug info:

PubChemData

Smile

CC(=O)O[C@@H](COC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC(=CC=C3)OC

DOS

IR

Vibrations