Geometry & MOs

Info

ID:	126372
PubChem CID:	50962349
Reduced:	FO2N5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	322.10842
ΔH_f, kcal/mol:	-49.36
Dipole, Da:	1.82
IP(EA), eV:	-9.26(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-3-[(1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CN1CCCN2C(=CC(=N2)C(=O)N3CCNC(=O)C3C4=CC(=CC=C4)F)C1

DOS

IR

Vibrations