Geometry & MOs

Info

ID:	389955
PubChem CID:	134996243
Reduced:	ClN2O4C11H11 (1)
Stoich.:	AB2C4D11E11 (1)
Weight, g/mol:	257.105193
ΔH_f, kcal/mol:	-76.41
Dipole, Da:	6.76
IP(EA), eV:	-9.78(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-cyano-3-phenyl-3-prop-2-enoxyprop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\NC1=CC(=CC=C1)Cl)/[N+](=O)[O-]

DOS

IR

Vibrations