Geometry & MOs

Info

ID:	311578
PubChem CID:	126594047
Reduced:	ON2C28H28 (1)
Stoich.:	AB2C28D28 (1)
Weight, g/mol:	452.209993
ΔH_f, kcal/mol:	39.47
Dipole, Da:	4.04
IP(EA), eV:	-8.83(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinolin-4-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC2=NC=CC(=C2C(=C1C3=CC=C(C=C3)CN4CCOCC4)C)C5=CC=CC=C5

DOS

IR

Vibrations