Geometry & MOs

Info

ID:	420920
PubChem CID:	135115043
Reduced:	O5N7C29H41 (1)
Stoich.:	A5B7C29D41 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-175.02
Dipole, Da:	9.8
IP(EA), eV:	-9.19(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)C(=O)CCN4CCCCCC4=O

DOS

IR

Vibrations