Geometry & MOs

Info

ID:	165965
PubChem CID:	74620001
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	350.199428
ΔH_f, kcal/mol:	-74.71
Dipole, Da:	4.53
IP(EA), eV:	-8.99(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methylanilino)-2-oxoethyl]-3-(4-methylphenyl)-N-propylprop-2-enamide

Drug info:

PubChemData

Smile

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)C=CC2=CC(=C(C=C2)OCC#N)OC

DOS

IR

Vibrations