Geometry & MOs

Info

ID:	205411
PubChem CID:	80096305
Reduced:	ON2C18H28 (1)
Stoich.:	AB2C18D28 (1)
Weight, g/mol:	288.220164
ΔH_f, kcal/mol:	-48.71
Dipole, Da:	1.97
IP(EA), eV:	-8.68(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-cyclopropyl-5-ethyl-2,5-dimethylpiperazin-1-yl)methyl]phenol

Drug info:

PubChemData

Smile

CCC1(CN(C2(CCCC2)CN1)CC3=CC(=CC=C3)O)C

DOS

IR

Vibrations