Geometry & MOs

Info

ID:	334469
PubChem CID:	127253021
Reduced:	BrO9H17C26 (1)
Stoich.:	AB9C17D26 (1)
Weight, g/mol:	415.153206
ΔH_f, kcal/mol:	-269.24
Dipole, Da:	3.85
IP(EA), eV:	-8.88(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-6-(3-pyrazol-1-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

COC(=O)CC1=C(OC2=C1C3=C(C(=C2)O)C(=O)C(=C(O3)C4=CC(=C(C=C4)O)O)O)C5=CC=C(C=C5)Br

DOS

IR

Vibrations