Geometry & MOs

Info

ID:	142712
PubChem CID:	53080146
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	331.132077
ΔH_f, kcal/mol:	-14.12
Dipole, Da:	3.57
IP(EA), eV:	-8.65(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC=C(C(=N1)C)C(=O)NC2=C(C=C(C=C2)C)C

DOS

IR

Vibrations