Geometry & MOs

Info

ID:	260754
PubChem CID:	103202903
Reduced:	ClSN3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	254.153147
ΔH_f, kcal/mol:	67.75
Dipole, Da:	7.26
IP(EA), eV:	-8.51(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(dimethylamino)anilino]methyl]-1-methylpyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(C=C1C#N)CNC2CCSC3=C2C=C(C=C3)Cl

DOS

IR

Vibrations