Geometry & MOs

Info

ID:	83632
PubChem CID:	49859391
Reduced:	NO6C12H15 (1)
Stoich.:	AB6C12D15 (1)
Weight, g/mol:	232.109944
ΔH_f, kcal/mol:	-225.95
Dipole, Da:	2.4
IP(EA), eV:	-9.84(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2R,3S)-3-hydroxy-2-methyl-2,3-dihydroinden-1-ylidene]propanoate

Drug info:

PubChemData

Smile

CC(=O)C([C@H](C1=CC=CO1)NC(=O)OC)C(=O)OC

DOS

IR

Vibrations