Geometry & MOs

Info

ID:	30845
PubChem CID:	842000
Reduced:	NO6C17H19 (1)
Stoich.:	AB6C17D19 (1)
Weight, g/mol:	333.121237
ΔH_f, kcal/mol:	-236.6
Dipole, Da:	7.66
IP(EA), eV:	-9.08(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-[(6-acetyl-1,3-benzodioxol-5-yl)carbamoyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(C=C1NC(=O)[C@H]3CCCC[C@H]3C(=O)O)OCO2

DOS

IR

Vibrations