Geometry & MOs

Info

ID:	412700
PubChem CID:	135085614
Reduced:	NO2H11C13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	255.165686
ΔH_f, kcal/mol:	11.92
Dipole, Da:	3.3
IP(EA), eV:	-8.44(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tridecanoyl isothiocyanate

Drug info:

PubChemData

Smile

CC(=O)OC1=CC2=C(C=C1)N(C=C2)CC#C

DOS

IR

Vibrations