Geometry & MOs

Info

ID:	225481
PubChem CID:	85852499
Reduced:	Cl5C14H25 (1)
Stoich.:	A5B14C25 (1)
Weight, g/mol:	215.094629
ΔH_f, kcal/mol:	-100.97
Dipole, Da:	2.33
IP(EA), eV:	-10.98(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-isocyano-3-phenylbut-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(C(Cl)(Cl)Cl)(Cl)Cl

DOS

IR

Vibrations