Geometry & MOs

Info

ID:	152132
PubChem CID:	56310997
Reduced:	FSO2N5C23H24 (1)
Stoich.:	ABC2D5E23F24 (1)
Weight, g/mol:	429.262757
ΔH_f, kcal/mol:	-37.17
Dipole, Da:	3.96
IP(EA), eV:	-9.1(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NN=C(S3)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations