Geometry & MOs

Info

ID:	288542
PubChem CID:	104319153
Reduced:	N2O2C9H22 (1)
Stoich.:	A2B2C9D22 (1)
Weight, g/mol:	234.125594
ΔH_f, kcal/mol:	-109.2
Dipole, Da:	0.5
IP(EA), eV:	-9.1(1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxybutyl)-1,3-dihydroindene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CCN(C)CC(COC)N)O

DOS

IR

Vibrations