Geometry & MOs

Info

ID:	161858
PubChem CID:	57392868
Reduced:	NO4C19H19 (1)
Stoich.:	AB4C19D19 (1)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	-67.96
Dipole, Da:	4.03
IP(EA), eV:	-8.43(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(E)-2-cyano-1-(3-ethoxy-4-methoxyphenyl)ethenyl]-2-methoxyphenyl] N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C(=C\C#N)/C2=CC(=C(C=C2)OC)O)OC

DOS

IR

Vibrations