Geometry & MOs

Info

ID:	62664
PubChem CID:	26732631
Reduced:	NO2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	406.189257
ΔH_f, kcal/mol:	-93.59
Dipole, Da:	6.6
IP(EA), eV:	-9.04(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-cyano-3-[4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC=C(C=C1)NC(=O)COC2=CC(=C(C=C2)C)C)/C#N

DOS

IR

Vibrations