Geometry & MOs

Info

ID:	27600
PubChem CID:	822492
Reduced:	NO5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	335.173273
ΔH_f, kcal/mol:	-222.01
Dipole, Da:	5.64
IP(EA), eV:	-9.46(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R)-3-[(2,5-dimethoxyphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@]1(CC[C@H](C1(C)C)C(=O)NC2=CC=CC=C2C(=O)O)C(=O)O

DOS

IR

Vibrations