Geometry & MOs

Info

ID:	216643
PubChem CID:	85086553
Reduced:	O5C16H16 (1)
Stoich.:	A5B16C16 (1)
Weight, g/mol:	288.111007
ΔH_f, kcal/mol:	-143.28
Dipole, Da:	1.77
IP(EA), eV:	-8.7(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-methyl-10-oxo-9-oxa-2,3-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,11,13-tetraene-4-carboxylate

Drug info:

PubChemData

Smile

COCOC1=C(C=C(C2=CC=CC=C21)C=CC(=O)O)OC

DOS

IR

Vibrations