Geometry & MOs

Info

ID:	417144
PubChem CID:	135091453
Reduced:	N3O5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-139.09
Dipole, Da:	7.02
IP(EA), eV:	-8.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=NNC(=C1)CNC(=O)C2=CC(=C(C=C2OC)OC)OC

DOS

IR

Vibrations