Geometry & MOs

Info

ID:	123762
PubChem CID:	50861004
Reduced:	ClOSN3C26H30 (1)
Stoich.:	ABCD3E26F30 (1)
Weight, g/mol:	358.161205
ΔH_f, kcal/mol:	-4.19
Dipole, Da:	7.09
IP(EA), eV:	-8.04(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-chloro-1-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-yl)-N-(3-fluorophenyl)methanimine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations