Geometry & MOs

Info

ID:	298764
PubChem CID:	117656058
Reduced:	NO2C8H11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	135.104799
ΔH_f, kcal/mol:	-77.62
Dipole, Da:	4.39
IP(EA), eV:	-9.74(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3a,4,5,6-tetrahydro-1H-indole

Drug info:

PubChemData

Smile

CC1=NC(=CC(C1)C(=O)O)C

DOS

IR

Vibrations