Geometry & MOs

Info

ID:	419808
PubChem CID:	135109126
Reduced:	FO4N6C35H45 (1)
Stoich.:	AB4C6D35E45 (1)
Weight, g/mol:	312.104084
ΔH_f, kcal/mol:	-145.97
Dipole, Da:	10.38
IP(EA), eV:	-8.9(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CCCN(CCCCNC(=O)[C@@H]2C[C@H]1CN2C(=O)COC3=CC=C(C=C3)F)CC4=C(NN=C4)C5=CC=CC=C5

DOS

IR

Vibrations