Geometry & MOs

Info

ID:	53162
PubChem CID:	14709683
Reduced:	NSC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	229.092521
ΔH_f, kcal/mol:	37.97
Dipole, Da:	0.72
IP(EA), eV:	-8.44(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NC=C1)C2=CC=C(C=C2)SC

DOS

IR

Vibrations