Geometry & MOs

Info

ID:	76306
PubChem CID:	48424762
Reduced:	NSO2C17H27 (1)
Stoich.:	ABC2D17E27 (1)
Weight, g/mol:	323.257277
ΔH_f, kcal/mol:	-75.44
Dipole, Da:	3.47
IP(EA), eV:	-9.03(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(CC)C(C1=CC=CS1)NC(=O)C(C)OCC2CC2

DOS

IR

Vibrations