Geometry & MOs

Info

ID:	62635
PubChem CID:	26732575
Reduced:	N3O5H17C21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	452.00974
ΔH_f, kcal/mol:	-28.59
Dipole, Da:	4.24
IP(EA), eV:	-9.25(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])/C#N

DOS

IR

Vibrations