Geometry & MOs

Info

ID:	180899
PubChem CID:	76701318
Reduced:	NYH7C8 (1)
Stoich.:	ABC7D8 (1)
Weight, g/mol:	214.095357
ΔH_f, kcal/mol:	114.82
Dipole, Da:	2.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.475202
Charge, e:	0

Chem-info

IUPAC name:

2-O-(butan-2-ylideneamino) 1-O-(propan-2-ylideneamino) oxalate

Drug info:

PubChemData

Smile

[CH3-].C1=C[C-]=CC(=C1)C#N.[Y]

DOS

IR

Vibrations