Geometry & MOs

Info

ID:	225943
PubChem CID:	87246458
Reduced:	ClNO2H26C29 (1)
Stoich.:	ABC2D26E29 (1)
Weight, g/mol:	455.165207
ΔH_f, kcal/mol:	7.33
Dipole, Da:	7.46
IP(EA), eV:	-9.36(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(1-hydroxypropan-2-yl)phenyl]propan-1-one

Drug info:

PubChemData

Smile

CC(CO)C1=CC=CC=C1C(CC=O)C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3

DOS

IR

Vibrations