Geometry & MOs

Info

ID:	168827
PubChem CID:	75024499
Reduced:	O2N3F4C27H35 (1)
Stoich.:	A2B3C4D27E35 (1)
Weight, g/mol:	441.25469
ΔH_f, kcal/mol:	-274.17
Dipole, Da:	1.87
IP(EA), eV:	-8.84(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(1-amino-3-methylbutyl)phenyl]piperazin-1-yl]-3-(4-chloro-2-methylphenyl)-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)CC(C1=C(C=CC(=C1)C(F)(F)F)N2CCN(CC2)C(=O)C(C)CC3=CC(=C(C=C3)OC)F)N

DOS

IR

Vibrations