Geometry & MOs

Info

ID:	200357
PubChem CID:	79376478
Reduced:	N2O2F3C8H9 (1)
Stoich.:	A2B2C3D8E9 (1)
Weight, g/mol:	238.168128
ΔH_f, kcal/mol:	-228.52
Dipole, Da:	5.21
IP(EA), eV:	-9.9(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-heptyl-2-methoxy-6-methylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=N1)OC)CC(F)(F)F

DOS

IR

Vibrations