Geometry & MOs

Info

ID:	342393
PubChem CID:	127265216
Reduced:	N4O4H14C17 (1)
Stoich.:	A4B4C14D17 (1)
Weight, g/mol:	296.137222
ΔH_f, kcal/mol:	-15.94
Dipole, Da:	6.56
IP(EA), eV:	-9.19(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-methoxy-2-nitrophenyl)piperidin-3-yl]oxyethanol

Drug info:

PubChemData

Smile

CN1C=C(C(=O)N(C1=O)C)C=CC2=NC3=C(C=C2)C=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations