Geometry & MOs

Info

ID:	414828
PubChem CID:	135087799
Reduced:	F2N3O3C17H19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-168.61
Dipole, Da:	6.46
IP(EA), eV:	-9.36(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=C(C=CC(=C3F)F)OC

DOS

IR

Vibrations