Geometry & MOs

Info

ID:	45959
PubChem CID:	10519674
Reduced:	NO2C21H21 (1)
Stoich.:	AB2C21D21 (1)
Weight, g/mol:	319.168462
ΔH_f, kcal/mol:	-19.46
Dipole, Da:	2.84
IP(EA), eV:	-8.43(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(dimethylamino)phenyl]-2,6-dimethyl-5-phenylpyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C3=C(CCN2)C4=C(C=C3)C=C(C=C4)OC

DOS

IR

Vibrations