Geometry & MOs

Info

ID:	419497
PubChem CID:	135108280
Reduced:	ON3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	362.184172
ΔH_f, kcal/mol:	-39.58
Dipole, Da:	7.53
IP(EA), eV:	-8.99(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(3,4-diethoxybenzoyl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)N2CCN(CC2)C(=O)[C@H](CC3=CN=CN3)NC(=O)C

DOS

IR

Vibrations