Geometry & MOs

Info

ID:	150937
PubChem CID:	53790634
Reduced:	ClOH13C17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	214.09938
ΔH_f, kcal/mol:	41.09
Dipole, Da:	2.73
IP(EA), eV:	-9.36(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylnaphthalen-1-yl)acetic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3C=CC2(O3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations