Geometry & MOs

Info

ID:	48397
PubChem CID:	10544430
Reduced:	OC7H10 (3)
Stoich.:	AB7C10 (3)
Weight, g/mol:	330.222636
ΔH_f, kcal/mol:	-97.13
Dipole, Da:	5.52
IP(EA), eV:	-9.01(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E,3R)-3-[(2R,4S,6R)-4-(2,2-dimethoxyethyl)-6-methoxyoxan-2-yl]but-1-enyl]-trimethylsilane

Drug info:

PubChemData

Smile

CCOC1=C[C@@H]2C[C@@]2([C@@H](C1)[C@H](C=C)O)C(=O)CC(=C(C)C)C(=C)C

DOS

IR

Vibrations