Geometry & MOs

Info

ID:	372517
PubChem CID:	131299089
Reduced:	NOH4C6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-5.29
Dipole, Da:	6.02
IP(EA), eV:	-9.89(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(hydroxymethyl)-7-methyl-1,2-dihydroinden-4-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(=N2)CC(=O)O)C#N

DOS

IR

Vibrations