Geometry & MOs

Info

ID:	360625
PubChem CID:	127301270
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	390.243104
ΔH_f, kcal/mol:	-14.32
Dipole, Da:	2.16
IP(EA), eV:	-8.79(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-methylphenyl)-2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NOC(=N2)CN3CCC(CC3)CC(=O)N4CCN(CC4)C

DOS

IR

Vibrations