Geometry & MOs

Info

ID:	365286
PubChem CID:	127317648
Reduced:	SO2N3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	325.236542
ΔH_f, kcal/mol:	-38.95
Dipole, Da:	2.39
IP(EA), eV:	-8.76(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylcyclohexyl)oxy-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CSC(=N2)NC(=O)C3CC4=CC=CC=C4OC3

DOS

IR

Vibrations