Geometry & MOs

Info

ID:	420327
PubChem CID:	135112492
Reduced:	NO5C20H31 (1)
Stoich.:	AB5C20D31 (1)
Weight, g/mol:	363.212219
ΔH_f, kcal/mol:	-236.46
Dipole, Da:	8.56
IP(EA), eV:	-8.97(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S,6R,7R)-6-[(4,4-difluoropiperidin-1-yl)methyl]-3-(pyridin-4-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decane

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@H]1O)CC2=CC(=C(C=C2)OC(C)C)CO)C(=O)O

DOS

IR

Vibrations