Geometry & MOs

Info

ID:	23778
PubChem CID:	606071
Reduced:	NO2C14H21 (1)
Stoich.:	AB2C14D21 (1)
Weight, g/mol:	235.157229
ΔH_f, kcal/mol:	-99.54
Dipole, Da:	5.99
IP(EA), eV:	-8.53(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-acetyl-2,6-dimethyl-4-propan-2-yl-1,4-dihydropyridin-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1)C)C(=O)C)C(C)C)C(=O)C

DOS

IR

Vibrations