Geometry & MOs

Info

ID:	169305
PubChem CID:	75086961
Reduced:	ClNO2H22C24 (1)
Stoich.:	ABC2D22E24 (1)
Weight, g/mol:	503.216014
ΔH_f, kcal/mol:	-20.02
Dipole, Da:	3.89
IP(EA), eV:	-8.52(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[1-(4-ethoxyphenyl)ethylideneamino]-5-[(2-methylpiperidin-1-yl)methyl]triazole-4-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C=CC2=CC(=CC=C2)OCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations