Geometry & MOs

Info

ID:	45517
PubChem CID:	10514434
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	-48.7
Dipole, Da:	1.95
IP(EA), eV:	-9.79(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-1-butyl-2-methyl-1H-naphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

C=C[C@]1(CCCNC1=O)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations