Geometry & MOs

Info

ID:	127347
PubChem CID:	50999244
Reduced:	NO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	372.183778
ΔH_f, kcal/mol:	-203.73
Dipole, Da:	6.52
IP(EA), eV:	-9.9(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,9R)-9-benzoyl-5,11-diazatetracyclo[6.2.2.02,7.04,9]dodecan-2-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1(CN([C@@H](CO1)C(=O)O)C(=O)OCC2=CC=CC=C2)C

DOS

IR

Vibrations