Geometry & MOs

Info

ID:	151853
PubChem CID:	56310671
Reduced:	N4O6C25H30 (1)
Stoich.:	A4B6C25D30 (1)
Weight, g/mol:	402.195486
ΔH_f, kcal/mol:	-202.47
Dipole, Da:	5.33
IP(EA), eV:	-8.38(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CCC(=O)NC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations