Geometry & MOs

Info

ID:	291689
PubChem CID:	113459629
Reduced:	SN3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	337.00759
ΔH_f, kcal/mol:	39.69
Dipole, Da:	1.06
IP(EA), eV:	-8.76(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-N-(2-phenylcyclopropyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)C2=CC=CC(=N2)C)CNCC

DOS

IR

Vibrations