Geometry & MOs

Info

ID:	180438
PubChem CID:	76632872
Reduced:	OC20H32 (1)
Stoich.:	AB20C32 (1)
Weight, g/mol:	424.160992
ΔH_f, kcal/mol:	-99.71
Dipole, Da:	3.23
IP(EA), eV:	-9.5(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylamino]-5-piperidin-2-ylbenzoic acid

Drug info:

PubChemData

Smile

CC1CC2C3CCC4CCCC(=O)C4(C3CCC2(C1)C)C

DOS

IR

Vibrations