Geometry & MOs

Info

ID:	400024
PubChem CID:	135044603
Reduced:	SC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	182.084398
ΔH_f, kcal/mol:	39.73
Dipole, Da:	2.79
IP(EA), eV:	-8.06(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(isocyanomethyl)-3-phenyl-1H-pyrrole

Drug info:

PubChemData

Smile

CC(=CC/C(=C/SC)/SC)C1=CC=CC=C1

DOS

IR

Vibrations