Geometry & MOs

Info

ID:	212230
PubChem CID:	81059892
Reduced:	ClN3O3H10C14 (1)
Stoich.:	AB3C3D10E14 (1)
Weight, g/mol:	257.098669
ΔH_f, kcal/mol:	27.36
Dipole, Da:	4.84
IP(EA), eV:	-10.31(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(2-thiophen-3-ylethylamino)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OC2=C(C=CC(=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations