Geometry & MOs

Info

ID:	416481
PubChem CID:	135089496
Reduced:	ClON4C18H23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	296.133634
ΔH_f, kcal/mol:	-2.25
Dipole, Da:	6.69
IP(EA), eV:	-8.68(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1C[C@@H]2CC[C@H](C1)N(C2)CC3=NN(C4=C3C(=CC=C4)Cl)C

DOS

IR

Vibrations