Geometry & MOs

Info

ID:	27258
PubChem CID:	819949
Reduced:	N7C19H21 (1)
Stoich.:	A7B19C21 (1)
Weight, g/mol:	191.050177
ΔH_f, kcal/mol:	106.75
Dipole, Da:	1.78
IP(EA), eV:	-8.75(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methylphenyl)pyrrole

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=NC(=NC(=N2)NC3=CC=CC=C3)NC4=CC=CC=C4

DOS

IR

Vibrations