Geometry & MOs

Info

ID:	197366
PubChem CID:	78957488
Reduced:	ClNF2O2C13H16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	208.132411
ΔH_f, kcal/mol:	-168.97
Dipole, Da:	3.82
IP(EA), eV:	-9.71(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethylpiperidin-1-yl)-(2H-triazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1(COC1)CNCC2=C(C=CC(=C2)Cl)OC(F)F

DOS

IR

Vibrations