Geometry & MOs

Info

ID:	393878
PubChem CID:	135021896
Reduced:	NO7H21C24 (1)
Stoich.:	AB7C21D24 (1)
Weight, g/mol:	421.116152
ΔH_f, kcal/mol:	-161.84
Dipole, Da:	7.09
IP(EA), eV:	-9.3(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-benzyl-11-oxo-5aH-chromeno[3,2-d]oxazepine-4,5-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC=C(C2=O)C3C(=C(ON3CC4=CC=CC=C4)C(=O)OC)C(=O)OC

DOS

IR

Vibrations