Geometry & MOs

Info

ID:	313964
PubChem CID:	126619200
Reduced:	N3F4O5C27H27 (1)
Stoich.:	A3B4C5D27E27 (1)
Weight, g/mol:	183.162314
ΔH_f, kcal/mol:	-335.66
Dipole, Da:	11.31
IP(EA), eV:	-8.83(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethylpropyl)-6-methyl-7-oxa-2-azabicyclo[3.2.0]heptane

Drug info:

PubChemData

Smile

CC(CC(=O)O)CN1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)OCC4=CC=CC=C4F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations