Geometry & MOs

Info

ID:	20649
PubChem CID:	585011
Reduced:	O3N4F6H20C21 (1)
Stoich.:	A3B4C6D20E21 (1)
Weight, g/mol:	490.143959
ΔH_f, kcal/mol:	-343.88
Dipole, Da:	5.84
IP(EA), eV:	-8.84(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(C(F)(F)F)(C(F)(F)F)NC(=O)C4=CN=CC=C4

DOS

IR

Vibrations