Geometry & MOs

Info

ID:	371977
PubChem CID:	131283714
Reduced:	NOCl2C10H11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	176.094963
ΔH_f, kcal/mol:	-42.15
Dipole, Da:	4.03
IP(EA), eV:	-9.76(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(5,6-dihydro-4H-cyclopenta[b]furan-2-yl)propanenitrile

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1Cl)C(=O)CCl

DOS

IR

Vibrations