Geometry & MOs

Info

ID:	29660
PubChem CID:	836250
Reduced:	ClO2H13C15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	227.105862
ΔH_f, kcal/mol:	-54.96
Dipole, Da:	1.35
IP(EA), eV:	-9.04(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(4-methylpyrimidin-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations