Geometry & MOs

Info

ID:	270599
PubChem CID:	103637222
Reduced:	ClNOSF3C10H11 (1)
Stoich.:	ABCDE3F10G11 (1)
Weight, g/mol:	282.173213
ΔH_f, kcal/mol:	-193.98
Dipole, Da:	4.68
IP(EA), eV:	-9.14(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1-phenylpiperidin-4-yl)amino]methyl]phenol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)CNCCSC(F)(F)F)O

DOS

IR

Vibrations