Geometry & MOs

Info

ID:	73418
PubChem CID:	48417658
Reduced:	OF3N5C21H22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	380.182396
ΔH_f, kcal/mol:	-95.05
Dipole, Da:	7.53
IP(EA), eV:	-9.1(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-4-yl)-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)C(F)(F)F)C2CCN(CC2)C(=O)C3=CC4=NNN=C4C=C3

DOS

IR

Vibrations