Geometry & MOs

Info

ID:	20389
PubChem CID:	583673
Reduced:	NOH7C8 (1)
Stoich.:	ABC7D8 (1)
Weight, g/mol:	133.052764
ΔH_f, kcal/mol:	38.98
Dipole, Da:	2.63
IP(EA), eV:	-9.37(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isocyano-2-methoxybenzene

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[N+]#[C-]

DOS

IR

Vibrations