Geometry & MOs

Info

ID:	53156
PubChem CID:	14709677
Reduced:	NSC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	203.076871
ΔH_f, kcal/mol:	47.14
Dipole, Da:	0.98
IP(EA), eV:	-8.45(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(4-methylsulfanylphenyl)-1H-pyrrole

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C2=CC=CN2

DOS

IR

Vibrations