Geometry & MOs

Info

ID:	357343
PubChem CID:	127293976
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	-49.17
Dipole, Da:	4.12
IP(EA), eV:	-8.61(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(6,6a,7,8,9,11-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)CC(=O)N2CC3CCCN3CC4=CC=CC=C42

DOS

IR

Vibrations