Geometry & MOs

Info

ID:	149439
PubChem CID:	53789112
Reduced:	O4C27H28 (1)
Stoich.:	A4B27C28 (1)
Weight, g/mol:	321.113171
ΔH_f, kcal/mol:	-94.5
Dipole, Da:	2.77
IP(EA), eV:	-8.5(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-3-(2-methylpropoxy)phenyl]-3-prop-1-en-2-ylpyrrole-2,5-diol

Drug info:

PubChemData

Smile

CC(C)C(C=CC1=CC=C(C=C1)OC)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3

DOS

IR

Vibrations