Geometry & MOs

Info

ID:	198281
PubChem CID:	79079801
Reduced:	OF2N2H8C10 (1)
Stoich.:	AB2C2D8E10 (1)
Weight, g/mol:	280.215078
ΔH_f, kcal/mol:	-91.0
Dipole, Da:	4.28
IP(EA), eV:	-10.59(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)NCC(F)F)C#N

DOS

IR

Vibrations