Geometry & MOs

Info

ID:	312859
PubChem CID:	126609262
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	360.079266
ΔH_f, kcal/mol:	-28.22
Dipole, Da:	4.57
IP(EA), eV:	-8.65(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12aS)-11-(diphosphanyl)-9-hydroxy-8-methoxy-12a,13-dihydro-12H-indolo[2,1-c][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

CC=NC1=C(C=C(C(=C1)O)C)C(=O)N2CCC3=CC=CC=C32

DOS

IR

Vibrations