Geometry & MOs

Info

ID:	426764
PubChem CID:	135153772
Reduced:	N2O3C10H12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	287.076928
ΔH_f, kcal/mol:	-73.03
Dipole, Da:	2.86
IP(EA), eV:	-9.91(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-oxido-3-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrol-1-ium-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)/C=C/C1=NC(=CC(=N1)OC)OC

DOS

IR

Vibrations