Geometry & MOs

Info

ID:	48820
PubChem CID:	11528364
Reduced:	NO2H7C8 (1)
Stoich.:	AB2C7D8 (1)
Weight, g/mol:	149.047678
ΔH_f, kcal/mol:	-54.57
Dipole, Da:	3.37
IP(EA), eV:	-9.34(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methylfuran-2-yl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

C1C2=C(C=C(C=C2)O)C(=O)N1

DOS

IR

Vibrations