Geometry & MOs

Info

ID:	21306
PubChem CID:	587891
Reduced:	ClN3H10C11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	219.056325
ΔH_f, kcal/mol:	62.0
Dipole, Da:	6.25
IP(EA), eV:	-8.8(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-(3-chlorophenyl)-2,5-dihydropyrrole-3-carbonitrile

Drug info:

PubChemData

Smile

C1C(=C(CN1C2=CC(=CC=C2)Cl)N)C#N

DOS

IR

Vibrations