Geometry & MOs

Info

ID:	123798
PubChem CID:	50862447
Reduced:	OSN3C25H29 (1)
Stoich.:	ABC3D25E29 (1)
Weight, g/mol:	415.262363
ΔH_f, kcal/mol:	17.84
Dipole, Da:	4.62
IP(EA), eV:	-7.85(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-N-(3,5-dimethylphenyl)-3-(2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations