Geometry & MOs

Info

ID:	11761
PubChem CID:	120572
Reduced:	ClON2H17C18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	312.102941
ΔH_f, kcal/mol:	-18.35
Dipole, Da:	5.66
IP(EA), eV:	-9.72(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(2-methylphenyl)-6-phenylpyrimidin-4-one;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=NC(=CC2=O)C3=CC=CC=C3)C.Cl

DOS

IR

Vibrations