Geometry & MOs

Info

ID:	205399
PubChem CID:	80095467
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	288.220164
ΔH_f, kcal/mol:	-83.08
Dipole, Da:	3.37
IP(EA), eV:	-8.4(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-cyclopropyl-5-methyl-2-propylpiperazin-1-yl)methyl]phenol

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1OCC2=CC=C(C=C2)O)CCN

DOS

IR

Vibrations