Geometry & MOs

Info

ID:	79678
PubChem CID:	49829944
Reduced:	NO2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	402.145868
ΔH_f, kcal/mol:	-119.45
Dipole, Da:	6.46
IP(EA), eV:	-8.31(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenyl)-1-[2-(dimethylazaniumyl)ethyl]-4,5-dioxopyrrolidin-3-ylidene]-(3,5-dimethyl-1H-pyrazol-4-yl)methanolate

Drug info:

PubChemData

Smile

CC(C(=O)OC(C)C(=O)NC1=CC2=C(CCC2)C=C1)N3C(=C)C4=CC=CC=C4C3=O

DOS

IR

Vibrations