Geometry & MOs

Info

ID:	210527
PubChem CID:	80819272
Reduced:	NC2H3 (6)
Stoich.:	AB2C3 (6)
Weight, g/mol:	247.154544
ΔH_f, kcal/mol:	60.85
Dipole, Da:	6.56
IP(EA), eV:	-9.11(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-imidazol-1-ylbutyl)pyrimidine-2,4,6-triamine

Drug info:

PubChemData

Smile

CNC1=CC(=NC=N1)NCCCCN2C=CN=C2

DOS

IR

Vibrations