Geometry & MOs

Info

ID:	308560
PubChem CID:	126497013
Reduced:	ClON2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	493.140449
ΔH_f, kcal/mol:	50.82
Dipole, Da:	1.72
IP(EA), eV:	-9.07(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12aS)-9-[[3-(chloromethyl)-5-nitrophenyl]methoxy]-8-methoxy-12-methyl-11,12,12a,13-tetrahydroindolo[2,1-c][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)CC(N2CCOCl)C=NC3=CC3

DOS

IR

Vibrations