Geometry & MOs

Info

ID:	147400
PubChem CID:	53787056
Reduced:	O2C9H12 (3)
Stoich.:	A2B9C12 (3)
Weight, g/mol:	258.198365
ΔH_f, kcal/mol:	-263.89
Dipole, Da:	2.55
IP(EA), eV:	-9.76(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-phenylhept-2-en-4-yl)oxane

Drug info:

PubChemData

Smile

CCCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC=C4[C@@]3(C=CC(=O)C4)C)C)C)C(=O)CO

DOS

IR

Vibrations