Geometry & MOs

Info

ID:	156103
PubChem CID:	56369134
Reduced:	BrO2N3C21H28 (1)
Stoich.:	AB2C3D21E28 (1)
Weight, g/mol:	444.108814
ΔH_f, kcal/mol:	-52.01
Dipole, Da:	3.34
IP(EA), eV:	-8.66(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-5-chloro-2-methoxy-4-pyrrol-1-ylbenzamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)OC)Br

DOS

IR

Vibrations