Geometry & MOs

Info

ID:	345202
PubChem CID:	127268962
Reduced:	FO2S2N3C18H24 (1)
Stoich.:	AB2C2D3E18F24 (1)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-79.35
Dipole, Da:	7.97
IP(EA), eV:	-8.47(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-[[1-(2-methylphenyl)cyclohexyl]methylamino]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(S1)S(=O)(=O)NC(C)C2=C(C=CC(=C2)F)N3CCN(CC3)C

DOS

IR

Vibrations