Geometry & MOs

Info

ID:	153973
PubChem CID:	56313330
Reduced:	FN3O4C25H26 (1)
Stoich.:	AB3C4D25E26 (1)
Weight, g/mol:	423.18821
ΔH_f, kcal/mol:	-102.04
Dipole, Da:	3.98
IP(EA), eV:	-9.15(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-phenyl-2-[4-[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(CNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)N4CCOCC4

DOS

IR

Vibrations