Geometry & MOs

Info

ID:	413221
PubChem CID:	135086167
Reduced:	PO2C19H31 (1)
Stoich.:	AB2C19D31 (1)
Weight, g/mol:	210.125594
ΔH_f, kcal/mol:	-157.43
Dipole, Da:	5.43
IP(EA), eV:	-9.26(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-but-2-ynyl-2,2-dimethyl-1,3-dioxan-5-yl)acetaldehyde

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H]([C@@H](C1)OP(=O)C2=C(C=C(C=C2C)C)C)C(C)C

DOS

IR

Vibrations