Geometry & MOs

Info

ID:	342960
PubChem CID:	127266123
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	278.13789
ΔH_f, kcal/mol:	13.15
Dipole, Da:	5.68
IP(EA), eV:	-9.27(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[[(4-methyl-3-nitropyridin-2-yl)amino]methyl]piperidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2=CC=CC=N2)NCC3CCN(C(=O)C3)C

DOS

IR

Vibrations