Geometry & MOs

Info

ID:	448971
PubChem CID:	135294913
Reduced:	ON2C32H36 (1)
Stoich.:	AB2C32D36 (1)
Weight, g/mol:	559.301034
ΔH_f, kcal/mol:	61.97
Dipole, Da:	2.7
IP(EA), eV:	-8.88(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[6-[(4,4-difluorocyclohexyl)methyl]-3-(2,4,5-trimethylfuran-3-yl)quinolin-8-yl]pyridin-2-yl]hexanamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1/C(=C\CC(C)C2=CC=CC=C2)/C3=CC(=NC=C3)C4CC4)/C(=C(\C)/OC)/C(=C)C

DOS

IR

Vibrations