Geometry & MOs

Info

ID:	6982
PubChem CID:	70872
Reduced:	N2O2H14C17 (1)
Stoich.:	A2B2C14D17 (1)
Weight, g/mol:	278.105528
ΔH_f, kcal/mol:	56.65
Dipole, Da:	5.87
IP(EA), eV:	-9.72(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(4-cyanatophenyl)propan-2-yl]phenyl] cyanate

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)OC#N)C2=CC=C(C=C2)OC#N

DOS

IR

Vibrations