Geometry & MOs

Info

ID:	204981
PubChem CID:	80039094
Reduced:	N3O3C12H13 (1)
Stoich.:	A3B3C12D13 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	7.38
Dipole, Da:	9.48
IP(EA), eV:	-9.58(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-4-(piperidin-2-ylmethoxy)benzonitrile

Drug info:

PubChemData

Smile

C1CNCCC1OC2=CC(=C(C=C2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations