Geometry & MOs

Info

ID:	149741
PubChem CID:	53789416
Reduced:	NO5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	69.021464
ΔH_f, kcal/mol:	-87.78
Dipole, Da:	4.87
IP(EA), eV:	-10.43(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isocyanoacetaldehyde

Drug info:

PubChemData

Smile

C1CC(C1)OC(=O)CC(=O)C=CC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations