Geometry & MOs

Info

ID:	207899
PubChem CID:	80466673
Reduced:	SN2C11H18 (1)
Stoich.:	AB2C11D18 (1)
Weight, g/mol:	317.03889
ΔH_f, kcal/mol:	22.75
Dipole, Da:	1.82
IP(EA), eV:	-8.99(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCC1=C(N=C(S1)C2(CC2)C)C

DOS

IR

Vibrations