Geometry & MOs

Info

ID:	31118
PubChem CID:	854624
Reduced:	NO2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	293.98916
ΔH_f, kcal/mol:	-68.41
Dipole, Da:	3.81
IP(EA), eV:	-8.72(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-2-methoxynaphthalen-1-yl)acetic acid

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H]3[C@]1(CO[C@]2(C3)C(=O)NC4=CC=CC=C4)C

DOS

IR

Vibrations