Geometry & MOs

Info

ID:	151536
PubChem CID:	53837769
Reduced:	N2O2C9H11 (2)
Stoich.:	A2B2C9D11 (2)
Weight, g/mol:	358.164105
ΔH_f, kcal/mol:	-32.35
Dipole, Da:	7.24
IP(EA), eV:	-8.76(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(4-nitrophenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

Drug info:

PubChemData

Smile

C1CN(CCN1C[C@@H](COC2=CC=C(C=C2)[N+](=O)[O-])O)C3=CC=CC=N3

DOS

IR

Vibrations