Geometry & MOs

Info

ID:	123881
PubChem CID:	50863672
Reduced:	ClFOSN3C26H29 (1)
Stoich.:	ABCDE3F26G29 (1)
Weight, g/mol:	356.206405
ΔH_f, kcal/mol:	-51.15
Dipole, Da:	5.43
IP(EA), eV:	-8.08(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-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(S3)NC4=C(C(=CC=C4)Cl)C)C(CC1(C)C)C

DOS

IR

Vibrations