Geometry & MOs

Info

ID:	373518
PubChem CID:	131316431
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	224.079707
ΔH_f, kcal/mol:	-80.26
Dipole, Da:	2.52
IP(EA), eV:	-8.74(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(hydroxymethyl)-6-nitro-1,2-dihydroinden-5-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(COCC2N)C(=C1O)C

DOS

IR

Vibrations