Geometry & MOs

Info

ID:	270046
PubChem CID:	103624012
Reduced:	ClSN2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	289.109423
ΔH_f, kcal/mol:	44.27
Dipole, Da:	1.74
IP(EA), eV:	-8.66(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloro-1H-indol-3-yl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNCC2=CNC3=C2C=CC(=C3)Cl

DOS

IR

Vibrations