Geometry & MOs

Info

ID:	274004
PubChem CID:	103806453
Reduced:	N2O4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-147.54
Dipole, Da:	1.6
IP(EA), eV:	-8.74(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(2,3,4,5-tetrahydro-1,4-benzodiazepine-1-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

COCCOCC(=O)NC1=CC(=CC=C1)OCCN

DOS

IR

Vibrations