Geometry & MOs

Info

ID:	403546
PubChem CID:	135060764
Reduced:	NO2C6H12 (2)
Stoich.:	AB2C6D12 (2)
Weight, g/mol:	228.078644
ΔH_f, kcal/mol:	-74.52
Dipole, Da:	7.32
IP(EA), eV:	-11.19(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-yl)-4-oxo-4-phenylbutanal

Drug info:

PubChemData

Smile

CCCC[C@@H](C[N+](=O)[O-])[C@@H](CCCC)C[N+](=O)[O-]

DOS

IR

Vibrations