Geometry & MOs

Info

ID:	373230
PubChem CID:	131311980
Reduced:	ClNO3H6C8 (1)
Stoich.:	ABC3D6E8 (1)
Weight, g/mol:	184.10342
ΔH_f, kcal/mol:	-20.48
Dipole, Da:	7.99
IP(EA), eV:	-10.22(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(thian-3-yl)butanenitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CC=O)Cl)[N+](=O)[O-]

DOS

IR

Vibrations