Geometry & MOs

Info

ID:	73427
PubChem CID:	48417671
Reduced:	O2F3N3C19H22 (1)
Stoich.:	A2B3C3D19E22 (1)
Weight, g/mol:	392.182396
ΔH_f, kcal/mol:	-164.7
Dipole, Da:	4.37
IP(EA), eV:	-9.21(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methylpyrazin-2-yl)-[4-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)N2CCC(CC2)N(C)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations