Geometry & MOs

Info

ID:	152758
PubChem CID:	56311822
Reduced:	N3O5C25H33 (1)
Stoich.:	A3B5C25D33 (1)
Weight, g/mol:	496.248584
ΔH_f, kcal/mol:	-170.74
Dipole, Da:	6.1
IP(EA), eV:	-8.5(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)NC(=O)CN2CCN(CC2C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations