Geometry & MOs

Info

ID:	207693
PubChem CID:	80439115
Reduced:	FIN3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	387.11714
ΔH_f, kcal/mol:	5.53
Dipole, Da:	3.41
IP(EA), eV:	-9.2(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylcyclohexyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)CC1=C(C(=NC(=N1)C2=CC=C(C=C2)F)N)I

DOS

IR

Vibrations