Geometry & MOs

Info

ID:	208213
PubChem CID:	80503629
Reduced:	O2F3H13C16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	223.14331
ΔH_f, kcal/mol:	-200.17
Dipole, Da:	3.52
IP(EA), eV:	-9.96(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-1-methylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CC2=CC=CC=C2C(F)(F)F)C(=O)O

DOS

IR

Vibrations