Geometry & MOs

Info

ID:	153241
PubChem CID:	56312404
Reduced:	FO2N4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	411.198048
ΔH_f, kcal/mol:	-32.36
Dipole, Da:	2.16
IP(EA), eV:	-9.13(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)C(=O)CC4=CC=CC=C4C)F

DOS

IR

Vibrations