Geometry & MOs

Info

ID:	261571
PubChem CID:	103240885
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	298.092912
ΔH_f, kcal/mol:	-124.7
Dipole, Da:	5.88
IP(EA), eV:	-9.1(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-yl-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=O)N1)OC2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations