Geometry & MOs

Info

ID:	205389
PubChem CID:	80094177
Reduced:	N2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	290.235814
ΔH_f, kcal/mol:	-115.94
Dipole, Da:	3.52
IP(EA), eV:	-9.26(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2(C1)C(=O)NC(=O)N2CC3=CC(=CC=C3)O

DOS

IR

Vibrations