Geometry & MOs

Info

ID:	204980
PubChem CID:	80039089
Reduced:	O2N4H8C11 (1)
Stoich.:	A2B4C8D11 (1)
Weight, g/mol:	247.095691
ΔH_f, kcal/mol:	98.11
Dipole, Da:	8.28
IP(EA), eV:	-9.61(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-4-piperidin-4-yloxybenzonitrile

Drug info:

PubChemData

Smile

CC1=NN(C=C1)C2=CC(=C(C=C2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations