Geometry & MOs

Info

ID:	148587
PubChem CID:	53788255
Reduced:	SN3H5C6 (1)
Stoich.:	AB3C5D6 (1)
Weight, g/mol:	227.1674
ΔH_f, kcal/mol:	77.66
Dipole, Da:	5.42
IP(EA), eV:	-8.96(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4-trimethyl-5-(2,3,5-trimethylphenyl)-1H-pyrrole

Drug info:

PubChemData

Smile

C1=CN=C(N1)C2=CSN=C2

DOS

IR

Vibrations