Geometry & MOs

Info

ID:	396197
PubChem CID:	135027698
Reduced:	ON4C20H20 (1)
Stoich.:	AB4C20D20 (1)
Weight, g/mol:	306.148061
ΔH_f, kcal/mol:	82.06
Dipole, Da:	4.27
IP(EA), eV:	-8.5(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azidomethyl)-1-[(4-methoxyphenyl)methyl]-2-methylindole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C([C@@H](CCC3)N=[N+]=[N-])C4=CC=CC=C42

DOS

IR

Vibrations