Geometry & MOs

Info

ID:	247597
PubChem CID:	103072357
Reduced:	N5C7H9 (1)
Stoich.:	A5B7C9 (1)
Weight, g/mol:	191.117095
ΔH_f, kcal/mol:	106.13
Dipole, Da:	5.62
IP(EA), eV:	-9.92(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(ethylaminomethyl)prop-2-enyl]-1,2,4-triazole-3-carbonitrile

Drug info:

PubChemData

Smile

C=C(CN)CN1C=NC(=N1)C#N

DOS

IR

Vibrations