Geometry & MOs

Info

ID:	442664
PubChem CID:	135254385
Reduced:	NC10H17 (1)
Stoich.:	AB10C17 (1)
Weight, g/mol:	214.110613
ΔH_f, kcal/mol:	22.21
Dipole, Da:	1.83
IP(EA), eV:	-9.23(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethylphenyl)-3-methylpyrimidin-4-one

Drug info:

PubChemData

Smile

CCC(C)/C(=C/C)/C=C\N=C

DOS

IR

Vibrations