Geometry & MOs

Info

ID:	421146
PubChem CID:	135115445
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	342.053798
ΔH_f, kcal/mol:	-73.55
Dipole, Da:	2.9
IP(EA), eV:	-8.61(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3CCN(CC3)C(=O)C4=CC=CC=C4)CO

DOS

IR

Vibrations