Geometry & MOs

Info

ID:	22907
PubChem CID:	599808
Reduced:	ON4C11H12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	216.101111
ΔH_f, kcal/mol:	18.14
Dipole, Da:	7.57
IP(EA), eV:	-9.12(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C

DOS

IR

Vibrations