Geometry & MOs

Info

ID:	416047
PubChem CID:	135089052
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	315.054132
ΔH_f, kcal/mol:	-7.56
Dipole, Da:	5.33
IP(EA), eV:	-8.42(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C)NCC(C2=CN=CC=C2)N3CCCCC3)C(=O)N

DOS

IR

Vibrations