Geometry & MOs

Info

ID:	218780
PubChem CID:	85089961
Reduced:	O9C27H40 (1)
Stoich.:	A9B27C40 (1)
Weight, g/mol:	508.248367
ΔH_f, kcal/mol:	-449.19
Dipole, Da:	9.18
IP(EA), eV:	-9.49(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-piperidin-1-ylpropyl)-2-[[4-[6-(trifluoromethyl)-1-benzothiophen-3-yl]piperazin-1-yl]methyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(COC(=O)CC(CC(CC(=O)O)O)O)O)C)O

DOS

IR

Vibrations