Geometry & MOs

Info

ID:	159778
PubChem CID:	57288740
Reduced:	BrNOC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	-47.13
Dipole, Da:	1.72
IP(EA), eV:	-8.11(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-methyl-3-naphthalen-2-ylpyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C(CNC1=CC=CC=C1O)Br

DOS

IR

Vibrations