Geometry & MOs

Info

ID:	62656
PubChem CID:	26732620
Reduced:	NO2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	378.157957
ΔH_f, kcal/mol:	-114.0
Dipole, Da:	5.59
IP(EA), eV:	-9.73(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-cyano-3-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]prop-2-enoate

Drug info:

PubChemData

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C[C@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=CC=CO2

DOS

IR

Vibrations