Geometry & MOs

Info

ID:	26520
PubChem CID:	650808
Reduced:	S2O4N5C20H25 (1)
Stoich.:	A2B4C5D20E25 (1)
Weight, g/mol:	313.15904
ΔH_f, kcal/mol:	-63.95
Dipole, Da:	10.85
IP(EA), eV:	-9.4(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-(2-fluorophenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(N=N2)C3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)S(=O)(=O)N(C)C

DOS

IR

Vibrations