Geometry & MOs

Info

ID:	45761
PubChem CID:	10517361
Reduced:	ClN2O2H11C15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	287.128645
ΔH_f, kcal/mol:	45.49
Dipole, Da:	5.73
IP(EA), eV:	-9.05(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-N-(diethoxyphosphorylmethyl)-2-oxoacetonitrilium

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=C3C(=CC=C(C3=N2)C)[N+](=O)[O-])Cl

DOS

IR

Vibrations