Geometry & MOs

Info

ID:	288877
PubChem CID:	104327594
Reduced:	FNO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	293.142722
ΔH_f, kcal/mol:	-179.27
Dipole, Da:	6.91
IP(EA), eV:	-10.16(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluoro-2-methylbenzoyl)amino]-1-methylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)NC2CCCC2(C)C(=O)O

DOS

IR

Vibrations