Geometry & MOs

Info

ID:	220310
PubChem CID:	85177283
Reduced:	O3C15H16 (1)
Stoich.:	A3B15C16 (1)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	-46.97
Dipole, Da:	2.44
IP(EA), eV:	-8.96(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-1-methyl-2H-naphthalene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OC1CC2C(COC3=CC=CC=C23)C=C1

DOS

IR

Vibrations