Geometry & MOs

Info

ID:	5734
PubChem CID:	13606
Reduced:	NH5C7 (1)
Stoich.:	AB5C7 (1)
Weight, g/mol:	103.042199
ΔH_f, kcal/mol:	74.1
Dipole, Da:	2.81
IP(EA), eV:	-9.67(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isocyanobenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations