Geometry & MOs

Info

ID:	223511
PubChem CID:	85335148
Reduced:	NO5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	400.107752
ΔH_f, kcal/mol:	-177.4
Dipole, Da:	4.29
IP(EA), eV:	-8.71(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-chloro-2-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]inden-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)OC1=C2C3=C(CC4C5(C3(CCN4CC6CCC6)C(O2)C(CC5)O)O)C=C1

DOS

IR

Vibrations