Geometry & MOs

Info

ID:	308587
PubChem CID:	126497094
Reduced:	N2O3C13H20 (1)
Stoich.:	A2B3C13D20 (1)
Weight, g/mol:	514.22162
ΔH_f, kcal/mol:	-118.62
Dipole, Da:	6.74
IP(EA), eV:	-8.75(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(hydroxymethyl)-5-[(8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl)oxymethyl]phenyl]-2-(methylamino)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC(=C1)COC)CO)NC

DOS

IR

Vibrations