Geometry & MOs

Info

ID:	53161
PubChem CID:	14709682
Reduced:	NOSC11H15 (1)
Stoich.:	ABCD11E15 (1)
Weight, g/mol:	203.076871
ΔH_f, kcal/mol:	4.23
Dipole, Da:	2.2
IP(EA), eV:	-8.61(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC/C(=N\O)/C1=CC=C(C=C1)SCC

DOS

IR

Vibrations