Geometry & MOs

Info

ID:	208107
PubChem CID:	80496351
Reduced:	ON2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	-7.58
Dipole, Da:	2.56
IP(EA), eV:	-8.71(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-aminophenyl)methyl]-N-propan-2-yl-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(C1=CC(=CC(=C1)OC)OC)C2=NNN=C2

DOS

IR

Vibrations