Geometry & MOs

Info

ID:	347611
PubChem CID:	127272477
Reduced:	SO3N5C17H29 (1)
Stoich.:	AB3C5D17E29 (1)
Weight, g/mol:	389.279075
ΔH_f, kcal/mol:	-104.88
Dipole, Da:	6.0
IP(EA), eV:	-8.74(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CN1CCN(CC1)C(=O)NC2=NC(=CS2)CN3CCOCC3)O

DOS

IR

Vibrations