Geometry & MOs

Info

ID:	27754
PubChem CID:	823434
Reduced:	NO5H15C19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	297.136493
ΔH_f, kcal/mol:	-110.74
Dipole, Da:	5.82
IP(EA), eV:	-9.26(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-(naphthalen-1-ylcarbamoyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)C(=O)OC)C(=O)O2

DOS

IR

Vibrations