Geometry & MOs

Info

ID:	142713
PubChem CID:	53080376
Reduced:	O2N3H17C20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	381.04767
ΔH_f, kcal/mol:	1.05
Dipole, Da:	0.62
IP(EA), eV:	-9.23(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)NC2=CC=CC(=C2)C(=O)C)C3=CC=CC=C3

DOS

IR

Vibrations