Geometry & MOs

Info

ID:	30737
PubChem CID:	841782
Reduced:	ClN2O2H11C12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	250.050905
ΔH_f, kcal/mol:	-39.52
Dipole, Da:	5.29
IP(EA), eV:	-9.35(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-(3-chloroanilino)-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CNC1=CC(=CC=C1)Cl)C#N

DOS

IR

Vibrations