Geometry & MOs

Info

ID:	282874
PubChem CID:	103943085
Reduced:	N2C3H4 (3)
Stoich.:	A2B3C4 (3)
Weight, g/mol:	213.101445
ΔH_f, kcal/mol:	74.55
Dipole, Da:	1.57
IP(EA), eV:	-9.43(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzonitrile

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)NC(C)C2=NC=NN2

DOS

IR

Vibrations