Geometry & MOs

Info

ID:	270210
PubChem CID:	103634729
Reduced:	FO2N3C9H14 (1)
Stoich.:	AB2C3D9E14 (1)
Weight, g/mol:	223.148476
ΔH_f, kcal/mol:	-101.88
Dipole, Da:	2.49
IP(EA), eV:	-9.23(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-6-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NC=N1)NCCOCCO)F

DOS

IR

Vibrations