Geometry & MOs

Info

ID:	275304
PubChem CID:	103815040
Reduced:	ON5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	231.11201
ΔH_f, kcal/mol:	23.39
Dipole, Da:	6.67
IP(EA), eV:	-9.85(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C1=NC=NN1)NC(=O)C2=CC=C(C=C2)CN

DOS

IR

Vibrations