Geometry & MOs

Info

ID:	142711
PubChem CID:	53080145
Reduced:	ClON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	269.152812
ΔH_f, kcal/mol:	-13.82
Dipole, Da:	2.65
IP(EA), eV:	-9.16(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-2-ethyl-4-methylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations