Geometry & MOs

Info

ID:	321931
PubChem CID:	126667401
Reduced:	NO5H13C18 (1)
Stoich.:	AB5C13D18 (1)
Weight, g/mol:	279.089543
ΔH_f, kcal/mol:	-131.59
Dipole, Da:	7.69
IP(EA), eV:	-9.86(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-cyano-2,3-dihydro-1H-inden-4-yl)-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CC1(C(=O)C2=CC(=CC(=C2O1)C3=CC(=C(C=C3)C(=O)O)O)C#N)C

DOS

IR

Vibrations