Geometry & MOs

Info

ID:	262216
PubChem CID:	103277283
Reduced:	ClNO2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	277.147807
ΔH_f, kcal/mol:	-86.16
Dipole, Da:	2.49
IP(EA), eV:	-8.83(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylcyclohex-3-en-1-yl)-2-(3-fluoroanilino)acetic acid

Drug info:

PubChemData

Smile

CC1CC(CC(=C1)C)C(C(=O)OC)NC2=CC(=CC=C2)Cl

DOS

IR

Vibrations