Geometry & MOs

Info

ID:	264212
PubChem CID:	103441832
Reduced:	OSN5C14H21 (1)
Stoich.:	ABC5D14E21 (1)
Weight, g/mol:	240.144948
ΔH_f, kcal/mol:	-0.22
Dipole, Da:	7.08
IP(EA), eV:	-8.8(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(aminomethyl)-4-methylpiperidin-1-yl]-1,1,1-trifluoropropan-2-ol

Drug info:

PubChemData

Smile

CC1CCN(C(C1)CN)CC2=NN3C(=O)C=C(N=C3S2)C

DOS

IR

Vibrations