Geometry & MOs

Info

ID:	123886
PubChem CID:	50863823
Reduced:	SN2O3C24H34 (1)
Stoich.:	AB2C3D24E34 (1)
Weight, g/mol:	501.1627
ΔH_f, kcal/mol:	-144.37
Dipole, Da:	9.39
IP(EA), eV:	-8.04(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)OC)/C=C\3/C(=O)N(C(=O)S3)C(C)CC)C(CC1(C)C)C

DOS

IR

Vibrations