Geometry & MOs

Info

ID:	181347
PubChem CID:	76732693
Reduced:	ClO3N4H25C26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	406.176681
ΔH_f, kcal/mol:	-24.21
Dipole, Da:	2.48
IP(EA), eV:	-9.28(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[(3-methoxyphenyl)methyl]-2-methyl-4-(phenylmethoxymethyl)-1,3a-dihydropyrazolo[4,3-c]pyridin-5-ium-3,6-dione

Drug info:

PubChemData

Smile

C1C2C(C(N(C1=O)CC3=CC=CC=N3)COCC4=CC=CC=C4)C(=O)N(N2)C5=CC=CC=C5Cl

DOS

IR

Vibrations