Geometry & MOs

Info

ID:	373528
PubChem CID:	131316518
Reduced:	BrFNC12H15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	-24.23
Dipole, Da:	3.12
IP(EA), eV:	-9.23(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[1-(4-methyl-1,3-oxazol-5-yl)ethyl]piperidin-4-yl]methanamine

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC(=C1)C=CCN)Br)F

DOS

IR

Vibrations