Geometry & MOs

Info

ID:	247596
PubChem CID:	103072355
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	163.085795
ΔH_f, kcal/mol:	-109.78
Dipole, Da:	5.11
IP(EA), eV:	-8.77(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNCC(=C)CN1C(=O)CC(CC1=O)(C)C

DOS

IR

Vibrations