Geometry & MOs

Info

ID:	264576
PubChem CID:	103471638
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	260.036797
ΔH_f, kcal/mol:	23.63
Dipole, Da:	6.81
IP(EA), eV:	-9.68(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-6-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1CCC(CC1)CNC2=C(C=C(C=N2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations