Geometry & MOs

Info

ID:	263275
PubChem CID:	103351427
Reduced:	BrClFNOSH10C13 (1)
Stoich.:	ABCDEFG10H13 (1)
Weight, g/mol:	226.204513
ΔH_f, kcal/mol:	-34.44
Dipole, Da:	4.77
IP(EA), eV:	-8.85(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-ethyl-1-(oxan-4-yl)piperidin-2-yl]methanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)CC2=CC(=CC(=C2)Br)N)Cl)F

DOS

IR

Vibrations