Geometry & MOs

Info

ID:	411530
PubChem CID:	135084362
Reduced:	NSH9C13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	219.100777
ΔH_f, kcal/mol:	133.12
Dipole, Da:	1.57
IP(EA), eV:	-8.96(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-azidobenzoate

Drug info:

PubChemData

Smile

C#CC(=NC1=CC=CC=C1)C2=CC=CS2

DOS

IR

Vibrations