Geometry & MOs

Info

ID:	263144
PubChem CID:	103341865
Reduced:	SN4C7H8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	244.168797
ΔH_f, kcal/mol:	101.22
Dipole, Da:	1.3
IP(EA), eV:	-8.03(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,5-dipropyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC\1=NSN/C1=C/2\C=CC=N2

DOS

IR

Vibrations