Geometry & MOs

Info

ID:	364406
PubChem CID:	127315645
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	-38.68
Dipole, Da:	5.21
IP(EA), eV:	-8.77(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4,7-dimethyl-1,4-diazepan-1-yl)-2-oxoethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC=CC(=C2C)C)C

DOS

IR

Vibrations