Geometry & MOs

Info

ID:	264213
PubChem CID:	103441932
Reduced:	ON2F3C10H19 (1)
Stoich.:	AB2C3D10E19 (1)
Weight, g/mol:	223.179696
ΔH_f, kcal/mol:	-227.0
Dipole, Da:	2.87
IP(EA), eV:	-9.15(1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]methanamine

Drug info:

PubChemData

Smile

CC1CCN(C(C1)CN)CC(C(F)(F)F)O

DOS

IR

Vibrations