Geometry & MOs

Info

ID:	415438
PubChem CID:	135088432
Reduced:	N2O2C19H26 (1)
Stoich.:	A2B2C19D26 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	-92.32
Dipole, Da:	2.34
IP(EA), eV:	-9.28(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyridin-3-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)CCCC3=CC=CC=C3

DOS

IR

Vibrations