Geometry & MOs

Info

ID:	123867
PubChem CID:	50863427
Reduced:	ClN2O2C25H31 (1)
Stoich.:	AB2C2D25E31 (1)
Weight, g/mol:	381.221641
ΔH_f, kcal/mol:	-71.59
Dipole, Da:	5.97
IP(EA), eV:	-8.13(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)C=NC3=C(C=CC(=C3)C(=O)OC)C)C(CC1(C)C)C

DOS

IR

Vibrations