Geometry & MOs

Info

ID:	20453
PubChem CID:	584044
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-68.77
Dipole, Da:	3.91
IP(EA), eV:	-8.57(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-hydroxyphenyl)-4,6,6-trimethyl-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(NC(=O)N1C2=CC=CC=C2O)(C)C

DOS

IR

Vibrations