Geometry & MOs

Info

ID:	45412
PubChem CID:	10512910
Reduced:	SN2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	216.162649
ΔH_f, kcal/mol:	74.15
Dipole, Da:	2.73
IP(EA), eV:	-9.26(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(1-methylindol-3-yl)butan-1-amine

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C=NCC2=CC=CC=C2

DOS

IR

Vibrations