Geometry & MOs

Info

ID:	413696
PubChem CID:	135086645
Reduced:	NH9C10 (1)
Stoich.:	AB9C10 (1)
Weight, g/mol:	228.136159
ΔH_f, kcal/mol:	86.16
Dipole, Da:	2.99
IP(EA), eV:	-9.66(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2R,5S,6R)-5-methyl-6-propanoyloxan-2-yl]propanoic acid

Drug info:

PubChemData

Smile

C=C(C[N+]#[C-])C1=CC=CC=C1

DOS

IR

Vibrations