Geometry & MOs

Info

ID:	123847
PubChem CID:	50863147
Reduced:	ClOSN3C21H26 (1)
Stoich.:	ABCD3E21F26 (1)
Weight, g/mol:	461.163683
ΔH_f, kcal/mol:	4.33
Dipole, Da:	2.79
IP(EA), eV:	-7.87(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenoxy)-N-[(E)-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)/C=N/NC(=O)C3=CC=CS3)C(CC1(C)C)C

DOS

IR

Vibrations