Geometry & MOs

Info

ID:	290759
PubChem CID:	110103134
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	531.164165
ΔH_f, kcal/mol:	-66.89
Dipole, Da:	3.11
IP(EA), eV:	-9.19(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[(1E)-1-[(9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxodibenzofuran-2-ylidene]ethyl]amino]ethyl]-1H-quinoxaline-2,3-dione

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)(CN2CCCC2C3=NC=CN=C3)O

DOS

IR

Vibrations