Geometry & MOs

Info

ID:	420882
PubChem CID:	135114984
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-53.95
Dipole, Da:	6.92
IP(EA), eV:	-8.59(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenoxy)-1-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]ethanone

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1C(C)NC2=NC=CC(=C2)C(=O)N3CCCCC3

DOS

IR

Vibrations