Geometry & MOs

Info

ID:	208597
PubChem CID:	80550495
Reduced:	BrON2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	266.272199
ΔH_f, kcal/mol:	-19.47
Dipole, Da:	1.47
IP(EA), eV:	-8.92(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-ethylcycloheptyl)piperidin-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCNCC1CCN(CC1)CC2=CC=C(O2)Br

DOS

IR

Vibrations