Geometry & MOs

Info

ID:	145517
PubChem CID:	53536741
Reduced:	O2F3N3C15H26 (1)
Stoich.:	A2B3C3D15E26 (1)
Weight, g/mol:	339.198048
ΔH_f, kcal/mol:	-256.72
Dipole, Da:	2.52
IP(EA), eV:	-8.61(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

COCCN1CCN(CC1)CC(=O)N2CCCC(C2)C(F)(F)F

DOS

IR

Vibrations