Geometry & MOs

Info

ID:	355155
PubChem CID:	127288087
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	-79.44
Dipole, Da:	3.45
IP(EA), eV:	-9.05(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(CNC(=O)[C@H]1CCC(=O)N1)N(C)C2CC2

DOS

IR

Vibrations