Geometry & MOs

Info

ID:	210469
PubChem CID:	80811065
Reduced:	N2C6H9 (2)
Stoich.:	A2B6C9 (2)
Weight, g/mol:	272.149793
ΔH_f, kcal/mol:	42.68
Dipole, Da:	4.29
IP(EA), eV:	-8.3(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-propan-2-ylamino]propanenitrile

Drug info:

PubChemData

Smile

CC(C)N(CCC#N)C1=CC=CC(=N1)NC

DOS

IR

Vibrations