Geometry & MOs

Info

ID:	392128
PubChem CID:	135013181
Reduced:	N2O7H16C18 (1)
Stoich.:	A2B7C16D18 (1)
Weight, g/mol:	178.09938
ΔH_f, kcal/mol:	-83.89
Dipole, Da:	3.06
IP(EA), eV:	-10.17(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-(5-methylfuran-2-yl)hex-2-enal

Drug info:

PubChemData

Smile

C1[C@H](C2C3CC4C2[C@H]5C1C3C4O5)OC(=O)C6=CC(=CC(=C6)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations