Geometry & MOs

Info

ID:	201602
PubChem CID:	79562221
Reduced:	NOC17H21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	235.193614
ΔH_f, kcal/mol:	-6.6
Dipole, Da:	1.45
IP(EA), eV:	-9.04(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bicyclo[2.2.1]heptanyl)-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine

Drug info:

PubChemData

Smile

C1CC2CC1CC2CC(C3=CC4=CC=CC=C4O3)N

DOS

IR

Vibrations