Geometry & MOs

Info

ID:	413604
PubChem CID:	135086553
Reduced:	BrNSO2H10C14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	306.088353
ΔH_f, kcal/mol:	4.15
Dipole, Da:	2.81
IP(EA), eV:	-8.45(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(azidomethyl)-5-chloroindole-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC(=C2Br)C(=O)C3=CC=CS3

DOS

IR

Vibrations