Geometry & MOs

Info

ID:	137382
PubChem CID:	52201982
Reduced:	OSN3C21H27 (1)
Stoich.:	ABC3D21E27 (1)
Weight, g/mol:	411.232205
ΔH_f, kcal/mol:	-0.01
Dipole, Da:	4.25
IP(EA), eV:	-8.62(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1N2CCN(CC2)C)SCC3=CC=CC=C3

DOS

IR

Vibrations