Geometry & MOs

Info

ID:	202827
PubChem CID:	79732026
Reduced:	BrON2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	256.251464
ΔH_f, kcal/mol:	-38.91
Dipole, Da:	4.49
IP(EA), eV:	-7.75(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(5-methylhexan-2-yl)piperidin-4-yl]oxypropan-1-amine

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Br)N2CCC(CC2)OCCCN

DOS

IR

Vibrations