Geometry & MOs

Info

ID:	80955
PubChem CID:	49854117
Reduced:	ON2C24H30 (1)
Stoich.:	AB2C24D30 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	7.41
Dipole, Da:	1.15
IP(EA), eV:	-8.29(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-azabicyclo[3.1.0]hexan-1-yl)phenyl]piperidin-4-one

Drug info:

PubChemData

Smile

CCN1CC2CC2(C1)C3=CC=C(C=C3)N4CCC(CC4)(C5=CC=CC=C5)O

DOS

IR

Vibrations