Geometry & MOs

Info

ID:	16154
PubChem CID:	460283
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	-48.58
Dipole, Da:	6.45
IP(EA), eV:	-9.36(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-methyl-6-[(3-methylphenyl)methyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2=C(C(=O)N=C(N2)OC)C

DOS

IR

Vibrations