Geometry & MOs

Info

ID:	360623
PubChem CID:	127301268
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	376.227454
ΔH_f, kcal/mol:	-58.93
Dipole, Da:	4.38
IP(EA), eV:	-8.73(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=CC2=O)CN3CCC(CC3)CC(=O)N4CCN(CC4)C)C=C1

DOS

IR

Vibrations