Geometry & MOs

Info

ID:	285271
PubChem CID:	104098915
Reduced:	BrO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	241.132746
ΔH_f, kcal/mol:	15.02
Dipole, Da:	4.0
IP(EA), eV:	-8.97(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-indol-7-ylmethyl)-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C=C2Br)CNCCN3C=CN=N3

DOS

IR

Vibrations