Geometry & MOs

Info

ID:	373925
PubChem CID:	131321358
Reduced:	N5C7H11 (1)
Stoich.:	A5B7C11 (1)
Weight, g/mol:	165.101445
ΔH_f, kcal/mol:	76.12
Dipole, Da:	1.73
IP(EA), eV:	-9.55(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-3-(2-methyl-1,2,4-triazol-3-yl)propanenitrile

Drug info:

PubChemData

Smile

CC1=NN(N=C1CC(C#N)N)C

DOS

IR

Vibrations