Geometry & MOs

Info

ID:	435662
PubChem CID:	135192092
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	214.085461
ΔH_f, kcal/mol:	15.64
Dipole, Da:	5.76
IP(EA), eV:	-9.61(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-N-methylidene-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

C/C=C(/CN1C=C(N=C1)C(=O)N)\C=C/C(=C)C

DOS

IR

Vibrations