Geometry & MOs

Info

ID:	398249
PubChem CID:	135032496
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	185.047678
ΔH_f, kcal/mol:	32.86
Dipole, Da:	6.79
IP(EA), eV:	-10.01(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-oxo-2-benzofuran-1-ylidene)propanenitrile

Drug info:

PubChemData

Smile

CC(=C)C(C)(C)C(CC1=CC=C(C=C1)C#N)[N+](=O)[O-]

DOS

IR

Vibrations