Geometry & MOs

Info

ID:	79737
PubChem CID:	49830198
Reduced:	NOC17H23 (1)
Stoich.:	ABC17D23 (1)
Weight, g/mol:	455.257277
ΔH_f, kcal/mol:	-22.99
Dipole, Da:	3.01
IP(EA), eV:	-8.57(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-phenylmethoxy-1-[3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

CC1C2CC3=C([C@@]1(CCN2CC=C)C)C=C(C=C3)O

DOS

IR

Vibrations