Geometry & MOs

Info

ID:	132889
PubChem CID:	51440395
Reduced:	FN2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-165.35
Dipole, Da:	6.49
IP(EA), eV:	-9.63(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-[(3-methoxyphenyl)methylamino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CN([C@@H](CN1C(=O)OCC2=CC=CC=C2)C(=O)O)CC3=CC=C(C=C3)F

DOS

IR

Vibrations