Geometry & MOs

Info

ID:	172317
PubChem CID:	75497021
Reduced:	BrN2O4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-49.69
Dipole, Da:	8.54
IP(EA), eV:	-9.52(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-4-[(3-cyclopentyloxyphenyl)methyl]-6-methylmorpholine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1COCC(=O)NC2=CC(=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations