Geometry & MOs

Info

ID:	24150
PubChem CID:	608070
Reduced:	NOC9H11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	298.168128
ΔH_f, kcal/mol:	-78.51
Dipole, Da:	8.09
IP(EA), eV:	-9.67(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-hydroxycyclohexyl)methyl]-6-methyl-5-phenyl-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=O)N1)CC2(CCCCC2)O)C3=CC=CC=C3

DOS

IR

Vibrations