Geometry & MOs

Info

ID:	169585
PubChem CID:	75121983
Reduced:	N3O4H19C22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	434.043627
ΔH_f, kcal/mol:	-27.2
Dipole, Da:	1.78
IP(EA), eV:	-8.9(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,6-dichloroanilino)-2-oxoethyl] 3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N=C1COC(=O)C=CC3=CC(=C(C=C3)OCC#N)OC

DOS

IR

Vibrations