Geometry & MOs

Info

ID:	171891
PubChem CID:	75436963
Reduced:	ClNO3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	344.069448
ΔH_f, kcal/mol:	-149.56
Dipole, Da:	3.98
IP(EA), eV:	-9.25(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dichlorophenyl)-2-hydroxy-1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)ethanone

Drug info:

PubChemData

Smile

CC(CC1CCCN1C(=O)CC2=C(C=C(C=C2)O)Cl)O

DOS

IR

Vibrations