Geometry & MOs

Info

ID:	135408
PubChem CID:	51867620
Reduced:	O2F3N4C15H23 (1)
Stoich.:	A2B3C4D15E23 (1)
Weight, g/mol:	358.198046
ΔH_f, kcal/mol:	-222.91
Dipole, Da:	11.61
IP(EA), eV:	-9.43(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-1-[(3S)-1-methylpiperidin-3-yl]-3-(trifluoromethyl)pyrazol-4-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1[C@H]2CCCN(C2)C)C(F)(F)F)C(=O)N(C)CCO

DOS

IR

Vibrations