Geometry & MOs

Info

ID:	413772
PubChem CID:	135086722
Reduced:	N2F6H12C19 (1)
Stoich.:	A2B6C12D19 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-242.38
Dipole, Da:	4.05
IP(EA), eV:	-9.0(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(C2=C(C(=N1)C3=CC=C(C=C3)C(F)(F)F)NC4=CC=CC=C42)C(F)(F)F

DOS

IR

Vibrations