Geometry & MOs

Info

ID:	260746
PubChem CID:	103202563
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	231.083019
ΔH_f, kcal/mol:	38.51
Dipole, Da:	4.53
IP(EA), eV:	-9.18(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[(thiophen-2-ylmethylamino)methyl]pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)CNCC2=CN(C(=C2)C#N)C

DOS

IR

Vibrations