Geometry & MOs

Info

ID:	146031
PubChem CID:	53625892
Reduced:	O3N6C16H18 (1)
Stoich.:	A3B6C16D18 (1)
Weight, g/mol:	320.246378
ΔH_f, kcal/mol:	76.95
Dipole, Da:	6.15
IP(EA), eV:	-9.27(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(4-tert-butylphenoxy)ethyl]piperazin-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

DOS

IR

Vibrations