Geometry & MOs

Info

ID:	412841
PubChem CID:	135085770
Reduced:	LiOH11C14 (1)
Stoich.:	ABC11D14 (1)
Weight, g/mol:	214.074228
ΔH_f, kcal/mol:	44.11
Dipole, Da:	6.94
IP(EA), eV:	-7.66(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-cyanophenyl)-2-isocyanoacetate

Drug info:

PubChemData

Smile

[Li+].C1=CC=C(C=C1)[C@@H]2[C-](O2)C3=CC=CC=C3

DOS

IR

Vibrations