Geometry & MOs

Info

ID:	372632
PubChem CID:	131301171
Reduced:	BrN3C8H8 (1)
Stoich.:	AB3C8D8 (1)
Weight, g/mol:	229.067369
ΔH_f, kcal/mol:	75.53
Dipole, Da:	5.68
IP(EA), eV:	-10.13(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-[(6-methylpyridin-3-yl)methyl]thiophene-2-carbonitrile

Drug info:

PubChemData

Smile

C1CC(C1)N2C(=C(C=N2)C#N)Br

DOS

IR

Vibrations