Geometry & MOs

Info

ID:	123809
PubChem CID:	50862609
Reduced:	ClN2O2C23H27 (1)
Stoich.:	AB2C2D23E27 (1)
Weight, g/mol:	445.168768
ΔH_f, kcal/mol:	-58.2
Dipole, Da:	10.01
IP(EA), eV:	-8.07(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations