Geometry & MOs

Info

ID:	64260
PubChem CID:	29198745
Reduced:	OSN2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	357.209065
ΔH_f, kcal/mol:	-44.98
Dipole, Da:	3.65
IP(EA), eV:	-8.86(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl]-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC[C@@](C)(CC1=NC2=CC=CC=C2S1)CC(=O)NC(C)C

DOS

IR

Vibrations