Geometry & MOs

Info

ID:	418579
PubChem CID:	135105906
Reduced:	NO3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	326.144199
ΔH_f, kcal/mol:	-114.18
Dipole, Da:	2.1
IP(EA), eV:	-9.36(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(difluoromethoxy)phenyl]-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NC2(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations