Geometry & MOs

Info

ID:	416398
PubChem CID:	135089411
Reduced:	ClNO4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	251.14339
ΔH_f, kcal/mol:	-176.88
Dipole, Da:	1.98
IP(EA), eV:	-9.48(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(3-fluoropyridin-4-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)C(=O)C2=CC(=C(C=C2)C)Cl)C(=O)O

DOS

IR

Vibrations