Geometry & MOs

Info

ID:	30940
PubChem CID:	853850
Reduced:	FNO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	265.111422
ΔH_f, kcal/mol:	-172.1
Dipole, Da:	5.92
IP(EA), eV:	-9.37(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-[(2-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC[C@H]([C@H](C1)C(=O)NC2=CC=CC=C2F)C(=O)O

DOS

IR

Vibrations