Geometry & MOs

Info

ID:	23196
PubChem CID:	602753
Reduced:	NOH11C13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	197.084064
ΔH_f, kcal/mol:	12.5
Dipole, Da:	3.59
IP(EA), eV:	-9.11(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-isocyanatoethyl)naphthalene

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)N=C=O

DOS

IR

Vibrations