Geometry & MOs

Info

ID:	31865
PubChem CID:	3721670
Reduced:	NC6H8 (4)
Stoich.:	AB6C8 (4)
Weight, g/mol:	369.124405
ΔH_f, kcal/mol:	4.92
Dipole, Da:	3.91
IP(EA), eV:	-8.07(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC12CC3CC(C1)(CC(C3)(C2)NC4=NC(=NC5=CC=CC=C54)N6CCCC6)C

DOS

IR

Vibrations