Geometry & MOs

Info

ID:	123768
PubChem CID:	50861087
Reduced:	OSCl2N3C24H25 (1)
Stoich.:	ABC2D3E24F25 (1)
Weight, g/mol:	440.234289
ΔH_f, kcal/mol:	0.59
Dipole, Da:	5.4
IP(EA), eV:	-8.09(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-(3,4-dimethylanilino)acetamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)Cl)/C=C/3\C(=O)N=C(S3)NC4=CC=C(C=C4)Cl)C(CC1(C)C)C

DOS

IR

Vibrations