Geometry & MOs

Info

ID:	207679
PubChem CID:	80436842
Reduced:	ClIN2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	397.06511
ΔH_f, kcal/mol:	43.98
Dipole, Da:	2.43
IP(EA), eV:	-9.46(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC1=C(C(=NC(=N1)CCC2=CC=CC=C2)Cl)I

DOS

IR

Vibrations