Geometry & MOs

Info

ID:	422427
PubChem CID:	135117818
Reduced:	ON3C22H31 (1)
Stoich.:	AB3C22D31 (1)
Weight, g/mol:	298.088434
ΔH_f, kcal/mol:	-30.1
Dipole, Da:	3.46
IP(EA), eV:	-8.29(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(5-chloro-2-fluorophenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CC(=N2)N3CC[C@]4(CCCN([C@@H]4C3)C)CO)C)C

DOS

IR

Vibrations