Geometry & MOs

Info

ID:	401947
PubChem CID:	135053529
Reduced:	NSO2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	177.061221
ΔH_f, kcal/mol:	-65.23
Dipole, Da:	3.73
IP(EA), eV:	-8.43(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-(5-methylthiophen-2-yl)pyrrole

Drug info:

PubChemData

Smile

CCSC1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C

DOS

IR

Vibrations