Geometry & MOs

Info

ID:	387456
PubChem CID:	134985446
Reduced:	NO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	329.162708
ΔH_f, kcal/mol:	-78.31
Dipole, Da:	2.16
IP(EA), eV:	-9.23(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,10-dimethoxy-5-methyl-7-phenyl-2,3,4,7-tetrahydro-1,6,5-benzodioxazonine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H](C[C@H](O1)C2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations