Geometry & MOs

Info

ID:	154172
PubChem CID:	56313575
Reduced:	BrFN2O2H18C22 (1)
Stoich.:	ABC2D2E18F22 (1)
Weight, g/mol:	386.138817
ΔH_f, kcal/mol:	-17.4
Dipole, Da:	2.34
IP(EA), eV:	-9.35(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1Br)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations