Geometry & MOs

Info

ID:	154086
PubChem CID:	56313473
Reduced:	OF3N4C22H29 (1)
Stoich.:	AB3C4D22E29 (1)
Weight, g/mol:	415.183124
ΔH_f, kcal/mol:	-163.95
Dipole, Da:	4.92
IP(EA), eV:	-8.68(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione

Drug info:

PubChemData

Smile

CC1CCCN(C1)CC2=CC=C(C=C2)CNC(=O)C3=C(N(N=C3)C(C)C)C(F)(F)F

DOS

IR

Vibrations