Geometry & MOs

Info

ID:	202876
PubChem CID:	79737350
Reduced:	BrFNC18H27 (1)
Stoich.:	ABCD18E27 (1)
Weight, g/mol:	256.215078
ΔH_f, kcal/mol:	-63.78
Dipole, Da:	4.25
IP(EA), eV:	-8.86(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(oxan-2-ylmethyl)piperidin-4-yl]oxypropan-1-amine

Drug info:

PubChemData

Smile

CC(C)NCCC1(CCCC1)CCC2=CC(=C(C=C2)F)Br

DOS

IR

Vibrations