Geometry & MOs

Info

ID:	405160
PubChem CID:	135072798
Reduced:	NO5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	262.09938
ΔH_f, kcal/mol:	-183.76
Dipole, Da:	3.42
IP(EA), eV:	-9.5(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-benzylnaphthalene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(CC(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2)C(=O)OCC

DOS

IR

Vibrations