Geometry & MOs

Info

ID:	52277
PubChem CID:	12015091
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	268.157563
ΔH_f, kcal/mol:	-69.81
Dipole, Da:	6.52
IP(EA), eV:	-10.27(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[phenyl(piperazin-1-yl)methyl]phenol

Drug info:

PubChemData

Smile

C1CCCN(C(=O)CC1)C(=O)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations