Geometry & MOs

Info

ID:	416908
PubChem CID:	135090765
Reduced:	SN4C14H20 (1)
Stoich.:	AB4C14D20 (1)
Weight, g/mol:	349.182398
ΔH_f, kcal/mol:	65.98
Dipole, Da:	2.98
IP(EA), eV:	-9.0(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1CCN2C=CC=N2)CC3=NC=CS3

DOS

IR

Vibrations