Geometry & MOs

Info

ID:	242766
PubChem CID:	99206168
Reduced:	O2N7C21H23 (1)
Stoich.:	A2B7C21D23 (1)
Weight, g/mol:	429.18009
ΔH_f, kcal/mol:	12.6
Dipole, Da:	2.23
IP(EA), eV:	-8.74(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4,5-diphenyl-1,2,4-triazol-3-yl)-3-(2-methoxyethoxy)benzohydrazide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=NC(=NN2)NC(=O)C3=CC=C(C=C3)N4CCC[C@H](C4)C(=O)N

DOS

IR

Vibrations