Geometry & MOs

Info

ID:	142537
PubChem CID:	53052215
Reduced:	F3O3N5H20C22 (1)
Stoich.:	A3B3C5D20E22 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-189.44
Dipole, Da:	4.96
IP(EA), eV:	-9.22(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylbenzoyl)amino]-4-(4-methylpiperidin-1-yl)benzoic acid

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(F)(F)F

DOS

IR

Vibrations