Geometry & MOs

Info

ID:	123856
PubChem CID:	50863156
Reduced:	ClOS2N4C25H29 (1)
Stoich.:	ABC2D4E25F29 (1)
Weight, g/mol:	441.218305
ΔH_f, kcal/mol:	14.34
Dipole, Da:	7.59
IP(EA), eV:	-8.2(-0.63)
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]-2-(3-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)/C=N/NC(=O)CSC3=NC4=CC=CC=C4S3)C(CC1(C)C)C

DOS

IR

Vibrations