Geometry & MOs

Info

ID:	207309
PubChem CID:	80373908
Reduced:	ON6C9H14 (1)
Stoich.:	AB6C9D14 (1)
Weight, g/mol:	268.077182
ΔH_f, kcal/mol:	60.0
Dipole, Da:	4.49
IP(EA), eV:	-9.2(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(difluoromethoxy)phenyl]methyl]-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)C3=NNN=N3

DOS

IR

Vibrations