Geometry & MOs

Info

ID:	144689
PubChem CID:	53399727
Reduced:	NO4H11C15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	408.167179
ΔH_f, kcal/mol:	-105.06
Dipole, Da:	4.15
IP(EA), eV:	-10.32(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(4-methoxyphenyl)methylideneamino]-N-methyl-3-[2-(4-methylphenyl)-2-oxoethyl]-5-oxo-2H-triazol-3-ium-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C(OC2=O)C3=CC=CC=N3)C(=O)O

DOS

IR

Vibrations