Geometry & MOs

Info

ID:	25865
PubChem CID:	632166
Reduced:	N4O5C17H18 (1)
Stoich.:	A4B5C17D18 (1)
Weight, g/mol:	358.105253
ΔH_f, kcal/mol:	-95.13
Dipole, Da:	10.45
IP(EA), eV:	-9.41(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-9-methoxy-1,7,10-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylate

Drug info:

PubChemData

Smile

C1COCCOC2=C(C=CC(=C2)N3C=NC4=C3NC=NC4=O)OCCO1

DOS

IR

Vibrations