Geometry & MOs

Info

ID:	4267
PubChem CID:	11080
Reduced:	NSH7C11 (1)
Stoich.:	ABC7D11 (1)
Weight, g/mol:	185.02992
ΔH_f, kcal/mol:	79.99
Dipole, Da:	4.25
IP(EA), eV:	-8.76(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isothiocyanatonaphthalene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N=C=S

DOS

IR

Vibrations