Geometry & MOs

Info

ID:	364423
PubChem CID:	127315662
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-67.95
Dipole, Da:	5.87
IP(EA), eV:	-9.02(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,7-dimethyl-1,4-diazepane-1-carbonyl)-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CN(C(=O)C=C2)C)C

DOS

IR

Vibrations