Geometry & MOs

Info

ID:	423608
PubChem CID:	135119847
Reduced:	ClFNOC17H23 (1)
Stoich.:	ABCDE17F23 (1)
Weight, g/mol:	326.144199
ΔH_f, kcal/mol:	-105.16
Dipole, Da:	3.0
IP(EA), eV:	-8.63(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)CC3=C(C(=CC=C3)F)Cl)O

DOS

IR

Vibrations