Geometry & MOs

Info

ID:	154964
PubChem CID:	56314521
Reduced:	FO2N4C23H35 (1)
Stoich.:	AB2C4D23E35 (1)
Weight, g/mol:	435.243439
ΔH_f, kcal/mol:	-135.04
Dipole, Da:	4.7
IP(EA), eV:	-8.74(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C=C2)F)C(C)NC(=O)CN3CCCCCCC3=O

DOS

IR

Vibrations