Geometry & MOs

Info

ID:	223425
PubChem CID:	85335027
Reduced:	N2O2C19H20 (1)
Stoich.:	A2B2C19D20 (1)
Weight, g/mol:	344.037085
ΔH_f, kcal/mol:	-6.91
Dipole, Da:	7.09
IP(EA), eV:	-8.97(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-chloro-3-[(4-chlorophenyl)methylidene]-2-methylinden-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1COCCN1CCC2=CC3=NC(=O)C4=CC=CC=C4C3C=C2

DOS

IR

Vibrations