Geometry & MOs

Info

ID:	30939
PubChem CID:	853849
Reduced:	NO3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	265.111422
ΔH_f, kcal/mol:	-121.25
Dipole, Da:	6.42
IP(EA), eV:	-8.86(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)C

DOS

IR

Vibrations