Geometry & MOs

Info

ID:	361290
PubChem CID:	127302485
Reduced:	ClN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-93.75
Dipole, Da:	3.2
IP(EA), eV:	-9.11(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)N2C3CCC2CC(C3)O

DOS

IR

Vibrations