Geometry & MOs

Info

ID:	407619
PubChem CID:	135080368
Reduced:	PO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	184.109944
ΔH_f, kcal/mol:	-137.15
Dipole, Da:	2.1
IP(EA), eV:	-9.67(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-hydroxynon-4-ynoate

Drug info:

PubChemData

Smile

CCOP(=O)(C1=CC=CC=C1)C(=C)COC

DOS

IR

Vibrations