Geometry & MOs

Info

ID:	12568
PubChem CID:	140438
Reduced:	NSC9H9 (1)
Stoich.:	ABC9D9 (1)
Weight, g/mol:	163.04557
ΔH_f, kcal/mol:	48.73
Dipole, Da:	5.17
IP(EA), eV:	-8.79(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-isothiocyanatobenzene

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N=C=S

DOS

IR

Vibrations