Geometry & MOs

Info

ID:	343780
PubChem CID:	127266956
Reduced:	FON2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	338.121275
ΔH_f, kcal/mol:	-56.81
Dipole, Da:	2.67
IP(EA), eV:	-8.82(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluoro-3-methylphenyl)methyl]-4-(1H-pyrazol-5-ylsulfonyl)piperazine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNC2=NC=CC(=C2)CCO)F

DOS

IR

Vibrations