Geometry & MOs

Info

ID:	412692
PubChem CID:	135085606
Reduced:	LiNO3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	243.050713
ΔH_f, kcal/mol:	-134.03
Dipole, Da:	2.01
IP(EA), eV:	-8.35(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(trifluoromethyl)phenyl]methyl 2-isocyanoacetate

Drug info:

PubChemData

Smile

[Li+].C=C(N1[C@@H](COC1=O)CC2=CC=CC=C2)[O-]

DOS

IR

Vibrations