Geometry & MOs

Info

ID:	374372
PubChem CID:	131327552
Reduced:	N2O2C11H14 (1)
Stoich.:	A2B2C11D14 (1)
Weight, g/mol:	236.071641
ΔH_f, kcal/mol:	-34.54
Dipole, Da:	3.28
IP(EA), eV:	-7.89(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(7-chloro-6-hydroxy-2,3-dihydro-1H-inden-5-yl)propanenitrile

Drug info:

PubChemData

Smile

CN1C=CC2=C(C(=C(C=C21)OC)N)OC

DOS

IR

Vibrations