Geometry & MOs

Info

ID:	62213
PubChem CID:	26718259
Reduced:	N4O4H22C23 (1)
Stoich.:	A4B4C22D23 (1)
Weight, g/mol:	386.149124
ΔH_f, kcal/mol:	-59.16
Dipole, Da:	6.32
IP(EA), eV:	-8.51(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-phenyl-N'-(2-pyrrol-1-ylbenzoyl)triazole-4-carbohydrazide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)OCC(=O)NNC(=O)C3=CC=CC=C3N4C=CC=C4

DOS

IR

Vibrations