Geometry & MOs

Info

ID:	313424
PubChem CID:	126614658
Reduced:	N2O3H16C18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	292.084792
ΔH_f, kcal/mol:	-51.42
Dipole, Da:	4.21
IP(EA), eV:	-8.67(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12aS)-9-hydroxy-8-methoxy-1,2-didehydro-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

CC1=NC2=CC(=C(C=C2C(=O)N3[C@H]1CC4=CC=CC=C43)OC)O

DOS

IR

Vibrations