Geometry & MOs

Info

ID:	414762
PubChem CID:	135087724
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	312.104084
ΔH_f, kcal/mol:	-25.35
Dipole, Da:	2.87
IP(EA), eV:	-9.51(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-fluorophenyl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NOC(=N2)CCC(=O)N[C@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations