Geometry & MOs

Info

ID:	185724
PubChem CID:	77340524
Reduced:	SN2O6C20H22 (1)
Stoich.:	AB2C6D20E22 (1)
Weight, g/mol:	440.223056
ΔH_f, kcal/mol:	-188.57
Dipole, Da:	6.35
IP(EA), eV:	-9.36(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-6-(4-hydroxy-1-phenyl-4-piperidin-1-ylbutan-2-yl)-4,4-dimethyl-1,3-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

CC(=O)OCC1(CN2C(C(C2=O)N(CC=C)C(=O)C3=CC=CC=C3)SC1)C(=O)O

DOS

IR

Vibrations