Geometry & MOs

Info

ID:	364461
PubChem CID:	127315713
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-22.06
Dipole, Da:	5.63
IP(EA), eV:	-9.01(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,7-dimethyl-1,4-diazepane-1-carbonyl)-6-methyl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations