Geometry & MOs

Info

ID:	372498
PubChem CID:	131298764
Reduced:	O4C11H16 (1)
Stoich.:	A4B11C16 (1)
Weight, g/mol:	189.078979
ΔH_f, kcal/mol:	-188.18
Dipole, Da:	5.76
IP(EA), eV:	-10.73(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-(6-hydroxy-2,3-dihydro-1H-inden-5-yl)acetonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CCC=C([C@@]1(C)CC(=O)O)C(=O)O

DOS

IR

Vibrations