Geometry & MOs

Info

ID:	364462
PubChem CID:	127315714
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	-67.76
Dipole, Da:	7.37
IP(EA), eV:	-8.6(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,7-dimethyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC=C(NC2=O)C)C

DOS

IR

Vibrations