Geometry & MOs

Info

ID:	143656
PubChem CID:	53244075
Reduced:	BrNO2H18C19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	436.163436
ΔH_f, kcal/mol:	-10.67
Dipole, Da:	1.85
IP(EA), eV:	-8.57(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3-hydroxypropyl)indol-3-yl]-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione

Drug info:

PubChemData

Smile

C1COCCN1C2=C(OC3=C2C=C(C=C3)Br)CC4=CC=CC=C4

DOS

IR

Vibrations