Geometry & MOs

Info

ID:	334542
PubChem CID:	127253217
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	483.143035
ΔH_f, kcal/mol:	-8.43
Dipole, Da:	4.76
IP(EA), eV:	-8.31(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propyl]-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCNC(=O)C3=CC4=C(N3)C=CC=C4OC

DOS

IR

Vibrations