Geometry & MOs

Info

ID:	140665
PubChem CID:	52738698
Reduced:	F2N3O5C23H23 (1)
Stoich.:	A2B3C5D23E23 (1)
Weight, g/mol:	428.150285
ΔH_f, kcal/mol:	-263.13
Dipole, Da:	5.47
IP(EA), eV:	-9.23(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-[(3-chlorophenyl)methoxy]benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)C(=O)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)NC(=O)C4=CC(=CC(=C4)F)F)O

DOS

IR

Vibrations