Geometry & MOs

Info

ID:	415816
PubChem CID:	135088817
Reduced:	N5O5C16H23 (1)
Stoich.:	A5B5C16D23 (1)
Weight, g/mol:	342.053798
ΔH_f, kcal/mol:	-202.9
Dipole, Da:	3.62
IP(EA), eV:	-9.3(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(2,6-dichlorobenzoyl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)C2=NC3=C(N2C)C(=O)NC(=O)N3C)C(=O)O

DOS

IR

Vibrations