Geometry & MOs

Info

ID:	422632
PubChem CID:	135118167
Reduced:	ClN3O3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	372.216141
ΔH_f, kcal/mol:	-109.01
Dipole, Da:	7.09
IP(EA), eV:	-9.6(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[1-(pyridine-2-carbonyl)piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC(=CN=C2)Cl)C(=O)C3CCOCC3

DOS

IR

Vibrations