Geometry & MOs

Info

ID:	171638
PubChem CID:	75409027
Reduced:	Cl2N2O3H16C19 (1)
Stoich.:	A2B2C3D16E19 (1)
Weight, g/mol:	426.194343
ΔH_f, kcal/mol:	-46.75
Dipole, Da:	1.84
IP(EA), eV:	-9.22(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-N-(3,4-dimethylphenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C(/C#N)\C(=O)N)Cl)OCC2=CC=CC=C2Cl

DOS

IR

Vibrations