Geometry & MOs

Info

ID:	56813
PubChem CID:	22390984
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	512.18667
ΔH_f, kcal/mol:	-65.18
Dipole, Da:	5.41
IP(EA), eV:	-8.76(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-1-(2,4-dihydroxy-1-propyl-2H-quinolin-3-yl)-3-(naphthalen-1-ylamino)propan-1-one

Drug info:

PubChemData

Smile

CC1CN(CC(N1C)C)C(=O)C2=CC(=C(N2)C=O)C

DOS

IR

Vibrations