Geometry & MOs

Info

ID:	417868
PubChem CID:	135102939
Reduced:	ON4C18H24 (1)
Stoich.:	AB4C18D24 (1)
Weight, g/mol:	306.194343
ΔH_f, kcal/mol:	-2.02
Dipole, Da:	1.08
IP(EA), eV:	-9.16(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N[C@H]2COC[C@H]2CC3=CC=NC=C3)C(C)C

DOS

IR

Vibrations