Geometry & MOs

Info

ID:	152790
PubChem CID:	56311861
Reduced:	SO3N4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	385.216555
ΔH_f, kcal/mol:	-86.37
Dipole, Da:	3.71
IP(EA), eV:	-8.46(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluoro-N-propan-2-ylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCNC(=O)C1CCCN(C1)CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations