Geometry & MOs

Info

ID:	364463
PubChem CID:	127315715
Reduced:	O2N3C12H21 (1)
Stoich.:	A2B3C12D21 (1)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	-91.7
Dipole, Da:	8.76
IP(EA), eV:	-8.93(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2CC(=O)NC2)C

DOS

IR

Vibrations