Geometry & MOs

Info

ID:	207689
PubChem CID:	80438054
Reduced:	ClFN3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	389.09641
ΔH_f, kcal/mol:	-27.07
Dipole, Da:	5.11
IP(EA), eV:	-9.48(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-iodo-6-(2-methylpropyl)-2-(oxan-3-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)CC1=CC(=NC(=N1)CC2=C(C=C(C=C2)F)Cl)N

DOS

IR

Vibrations