Geometry & MOs

Info

ID:	320626
PubChem CID:	126662166
Reduced:	ClFSO3N5H21C24 (1)
Stoich.:	ABCD3E5F21G24 (1)
Weight, g/mol:	437.304228
ΔH_f, kcal/mol:	-59.24
Dipole, Da:	8.01
IP(EA), eV:	-8.92(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(cyclopropylmethyl)piperazin-1-yl]-[4-[4-(piperidin-4-ylmethoxy)phenyl]cyclohex-3-en-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C2=C3C(=CNC3=NC=C2Cl)C4=NC=C(C(=N4)N[C@H]5CCCC(=O)C5)F

DOS

IR

Vibrations