Geometry & MOs

Info

ID:	123861
PubChem CID:	50863161
Reduced:	ClOSN3C26H30 (1)
Stoich.:	ABCD3E26F30 (1)
Weight, g/mol:	553.0993
ΔH_f, kcal/mol:	-2.87
Dipole, Da:	3.05
IP(EA), eV:	-8.0(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)/C=C/3\C(=O)N=C(S3)NC4=CC=CC=C4C)C(CC1(C)C)C

DOS

IR

Vibrations