Geometry & MOs

Info

ID:	372721
PubChem CID:	131303236
Reduced:	ON4H8C11 (1)
Stoich.:	AB4C8D11 (1)
Weight, g/mol:	212.106196
ΔH_f, kcal/mol:	105.67
Dipole, Da:	5.81
IP(EA), eV:	-8.64(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-methyl-5-(pyridin-2-ylmethyl)pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=NC2=CC(=CNN2)C#N)C(=O)C=C1

DOS

IR

Vibrations