Geometry & MOs

Info

ID:	283849
PubChem CID:	104012627
Reduced:	BrO2N3H10C11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	303.95312
ΔH_f, kcal/mol:	55.58
Dipole, Da:	2.86
IP(EA), eV:	-9.41(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[amino-(5-iodothiophen-3-yl)methylidene]butanenitrile

Drug info:

PubChemData

Smile

CC/C(=C(\C1=CC(=CC(=C1)Br)[N+](=O)[O-])/N)/C#N

DOS

IR

Vibrations