Geometry & MOs

Info

ID:	123875
PubChem CID:	50863641
Reduced:	FOSN3C26H30 (1)
Stoich.:	ABCD3E26F30 (1)
Weight, g/mol:	473.143696
ΔH_f, kcal/mol:	-41.85
Dipole, Da:	2.75
IP(EA), eV:	-8.02(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-N-(3,4-dichlorophenyl)-3-(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)F)/C=C/3\C(=O)N=C(S3)NC4=CC=CC=C4C)C(CC1(C)C)C

DOS

IR

Vibrations