Geometry & MOs

Info

ID:	123879
PubChem CID:	50863664
Reduced:	FOSN3C27H32 (1)
Stoich.:	ABCD3E27F32 (1)
Weight, g/mol:	450.08737
ΔH_f, kcal/mol:	-48.07
Dipole, Da:	7.44
IP(EA), eV:	-8.1(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)-1-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methanimine

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)F)/C=C/3\C(=O)N(C(=NC4=CC=CC=C4)S3)CC)C(CC1(C)C)C

DOS

IR

Vibrations