Geometry & MOs

Info

ID:	341269
PubChem CID:	127263704
Reduced:	FO2N3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	300.147393
ΔH_f, kcal/mol:	-61.26
Dipole, Da:	2.69
IP(EA), eV:	-9.45(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-hydroxycyclohexyl)-6-(2-methoxyphenyl)pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CN2C=C(C=CC2=N1)F)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations