Geometry & MOs

Info

ID:	24938
PubChem CID:	615077
Reduced:	NO6H23C27 (1)
Stoich.:	AB6C23D27 (1)
Weight, g/mol:	457.152537
ΔH_f, kcal/mol:	-142.09
Dipole, Da:	3.55
IP(EA), eV:	-9.65(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-[3-(4-methoxy-6-oxopyran-2-yl)-2,4-diphenylcyclobutyl]-1,3-oxazin-6-one

Drug info:

PubChemData

Smile

COC1=CC(=O)OC(=C1)C2C(C(C2C3=CC=CC=C3)C4=NC(=CC(=O)O4)OC)C5=CC=CC=C5

DOS

IR

Vibrations