Geometry & MOs

Info

ID:	263146
PubChem CID:	103341878
Reduced:	N6C13H18 (1)
Stoich.:	A6B13C18 (1)
Weight, g/mol:	216.137497
ΔH_f, kcal/mol:	60.45
Dipole, Da:	2.72
IP(EA), eV:	-8.83(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CNC1=NC(=NC(=N1)C2=CC=CN2)N3CCCCC3

DOS

IR

Vibrations