Geometry & MOs

Info

ID:	153863
PubChem CID:	56313193
Reduced:	FO2N3C26H26 (1)
Stoich.:	AB2C3D26E26 (1)
Weight, g/mol:	403.21951
ΔH_f, kcal/mol:	-24.78
Dipole, Da:	3.59
IP(EA), eV:	-9.02(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(CNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations