Geometry & MOs

Info

ID:	13177
PubChem CID:	222464
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	205.110279
ΔH_f, kcal/mol:	-85.81
Dipole, Da:	2.15
IP(EA), eV:	-8.68(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-3-oxobutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CC(=O)C)C

DOS

IR

Vibrations