Geometry & MOs

Info

ID:	402212
PubChem CID:	135054968
Reduced:	NO3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	214.135765
ΔH_f, kcal/mol:	-82.1
Dipole, Da:	5.8
IP(EA), eV:	-10.36(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,4R)-3-benzylidene-4-[(E)-but-1-enyl]oxolane

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations