Geometry & MOs

Info

ID:	327516
PubChem CID:	126690201
Reduced:	NO6H15C21 (1)
Stoich.:	AB6C15D21 (1)
Weight, g/mol:	405.168856
ΔH_f, kcal/mol:	-144.65
Dipole, Da:	3.13
IP(EA), eV:	-9.46(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,4,6,7,8,10a-octahydropyrimido[1,2-a][1,4]diazepin-2-yl 2-(9-oxoxanthen-2-yl)acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCC(=O)C2=C(C=CC=C2OC(=O)C3=CC=CC=N3)O

DOS

IR

Vibrations