Geometry & MOs

Info

ID:	144848
PubChem CID:	53422849
Reduced:	OH36C45 (1)
Stoich.:	AB36C45 (1)
Weight, g/mol:	238.990469
ΔH_f, kcal/mol:	144.8
Dipole, Da:	3.08
IP(EA), eV:	-8.29(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chlorophenyl)-(2-chloro-1H-pyrrol-3-yl)methanone

Drug info:

PubChemData

Smile

C1C=CC=CC1=C(C2=CC=CC=C2)C3=CC(=C(C(=C3)C(=C4CC=CC=C4)C5=CC=CC=C5)O)C(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations