Geometry & MOs

Info

ID:	422709
PubChem CID:	135118284
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	312.104084
ΔH_f, kcal/mol:	-46.32
Dipole, Da:	5.47
IP(EA), eV:	-8.76(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-fluorophenyl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC=C2OCCNC3=NC=C(C=C3)C(=O)N4CCOCC4)C=C1

DOS

IR

Vibrations