Geometry & MOs

Info

ID:	123665
PubChem CID:	50858339
Reduced:	Cl2O2N3C22H25 (1)
Stoich.:	A2B2C3D22E25 (1)
Weight, g/mol:	417.241627
ΔH_f, kcal/mol:	-37.37
Dipole, Da:	9.7
IP(EA), eV:	-8.06(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-N-(4-ethoxyphenyl)-3-(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C=C2)/C=N/NC(=O)COC3=C(C=C(C=C3)Cl)Cl)C)(C)C

DOS

IR

Vibrations