Geometry & MOs

Info

ID:	22832
PubChem CID:	599050
Reduced:	OC7H7 (2)
Stoich.:	AB7C7 (2)
Weight, g/mol:	214.09938
ΔH_f, kcal/mol:	-60.06
Dipole, Da:	2.14
IP(EA), eV:	-9.11(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations