Geometry & MOs

Info

ID:	207307
PubChem CID:	80373906
Reduced:	ClO2N5H8C9 (1)
Stoich.:	AB2C5D8E9 (1)
Weight, g/mol:	228.101111
ΔH_f, kcal/mol:	20.87
Dipole, Da:	2.79
IP(EA), eV:	-8.91(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-phenylcyclopropyl)-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Cl)NC(=O)C2=NNN=N2

DOS

IR

Vibrations