Geometry & MOs

Info

ID:	334089
PubChem CID:	127252641
Reduced:	N3O5H21C26 (1)
Stoich.:	A3B5C21D26 (1)
Weight, g/mol:	431.159354
ΔH_f, kcal/mol:	-82.61
Dipole, Da:	5.68
IP(EA), eV:	-8.33(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-6-[2-[(2-methyl-1,2,4-triazol-3-yl)amino]ethyl]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)CCC(=O)NC5=CC=CC=N5)OC

DOS

IR

Vibrations