Geometry & MOs

Info

ID:	334104
PubChem CID:	127252656
Reduced:	NO4H15C21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	466.164105
ΔH_f, kcal/mol:	-27.71
Dipole, Da:	5.3
IP(EA), eV:	-8.39(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CC#C)OC

DOS

IR

Vibrations