Geometry & MOs

Info

ID:	27661
PubChem CID:	822898
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	289.132746
ΔH_f, kcal/mol:	-68.78
Dipole, Da:	4.17
IP(EA), eV:	-9.3(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethyl-3-(1-phenyltetrazol-5-yl)-1H-indole

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](N1C(=O)C2=CC=CO2)C

DOS

IR

Vibrations