Geometry & MOs

Info

ID:	196898
PubChem CID:	78892498
Reduced:	N2F3O3H19C22 (1)
Stoich.:	A2B3C3D19E22 (1)
Weight, g/mol:	403.161995
ΔH_f, kcal/mol:	-207.09
Dipole, Da:	2.82
IP(EA), eV:	-8.55(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CC(OC1)COC2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4N=C3)C(F)(F)F

DOS

IR

Vibrations