Geometry & MOs

Info

ID:	190537
PubChem CID:	78017060
Reduced:	PSN3O13C36H44 (1)
Stoich.:	ABC3D13E36F44 (1)
Weight, g/mol:	362.163043
ΔH_f, kcal/mol:	-545.31
Dipole, Da:	8.39
IP(EA), eV:	-8.73(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-oxo-2-piperidin-1-yl-8H-quinolin-8-yl)methyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(=O)C(CC1=CC=C(C=C1)NC(=O)OCC2=CC=CC=C2)NC(=O)OC3COC4C3CCO4)S(=O)(=O)C5=CC=C(C=C5)OCP(=O)(O)O

DOS

IR

Vibrations