Geometry & MOs

Info

ID:	260582
PubChem CID:	103196240
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	298.112899
ΔH_f, kcal/mol:	-109.25
Dipole, Da:	5.17
IP(EA), eV:	-9.38(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-difluoro-4-[3-(methylcarbamoyl)piperidin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCCC3C2CNC3=O)O

DOS

IR

Vibrations