Geometry & MOs

Info

ID:	62658
PubChem CID:	26732622
Reduced:	NO2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	380.137222
ΔH_f, kcal/mol:	-114.42
Dipole, Da:	3.36
IP(EA), eV:	-9.81(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations