Geometry & MOs

Info

ID:	81355
PubChem CID:	49854635
Reduced:	N3C23H29 (1)
Stoich.:	A3B23C29 (1)
Weight, g/mol:	390.267114
ΔH_f, kcal/mol:	72.69
Dipole, Da:	1.42
IP(EA), eV:	-8.28(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-ethoxy-4-phenylpiperidin-1-yl)phenyl]-3-ethyl-3-azabicyclo[3.1.0]hexane

Drug info:

PubChemData

Smile

CCN1CC2CC2(C1)C3=CC=C(C=C3)N4CCN(CC4)C5=CC=CC=C5

DOS

IR

Vibrations