Geometry & MOs

Info

ID:	343790
PubChem CID:	127266966
Reduced:	FN4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	303.185924
ΔH_f, kcal/mol:	6.75
Dipole, Da:	4.9
IP(EA), eV:	-9.39(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluoro-3-methylphenyl)methyl]-4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN2CCCCC2C3=NC=NN3)F

DOS

IR

Vibrations