Geometry & MOs

Info

ID:	420385
PubChem CID:	135112884
Reduced:	SN2O3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-113.42
Dipole, Da:	5.29
IP(EA), eV:	-9.29(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCC[C@]3([C@H]2CN(CC3)C(=O)CC4=CSC=C4)CO

DOS

IR

Vibrations