Geometry & MOs

Info

ID:	53157
PubChem CID:	14709678
Reduced:	NSC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	217.092521
ΔH_f, kcal/mol:	36.7
Dipole, Da:	1.71
IP(EA), eV:	-8.27(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(N1)C2=CC=C(C=C2)SC

DOS

IR

Vibrations