Geometry & MOs

Info

ID:	419407
PubChem CID:	135108126
Reduced:	OF3N3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	348.204907
ΔH_f, kcal/mol:	-159.31
Dipole, Da:	2.43
IP(EA), eV:	-9.07(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)CC4=CC(=CC=C4)OC(F)(F)F

DOS

IR

Vibrations