Geometry & MOs

Info

ID:	334990
PubChem CID:	127253796
Reduced:	N4O6H20C25 (1)
Stoich.:	A4B6C20D25 (1)
Weight, g/mol:	461.169919
ΔH_f, kcal/mol:	-85.73
Dipole, Da:	6.57
IP(EA), eV:	-8.32(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-6-[2-[[2-(methoxymethyl)-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)CC5=NOC(=N5)C6CCC(=O)N6)OC

DOS

IR

Vibrations