Geometry & MOs

Info

ID:	207901
PubChem CID:	80466731
Reduced:	IN3C12H18 (1)
Stoich.:	AB3C12D18 (1)
Weight, g/mol:	345.07019
ΔH_f, kcal/mol:	42.57
Dipole, Da:	2.64
IP(EA), eV:	-8.96(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-iodo-2-(1-methylcyclopropyl)-6-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=C(C(=NC(=N1)C2(CC2)C)NC)I

DOS

IR

Vibrations