Geometry & MOs

Info

ID:	123773
PubChem CID:	50861499
Reduced:	FSN3O3C27H30 (1)
Stoich.:	ABC3D3E27F30 (1)
Weight, g/mol:	402.11069
ΔH_f, kcal/mol:	-147.46
Dipole, Da:	12.02
IP(EA), eV:	-8.38(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations