Geometry & MOs

Info

ID:	285272
PubChem CID:	104098916
Reduced:	N5C13H15 (1)
Stoich.:	A5B13C15 (1)
Weight, g/mol:	209.073517
ΔH_f, kcal/mol:	100.19
Dipole, Da:	4.13
IP(EA), eV:	-8.56(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-thiazol-2-ylmethyl)-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)CNCCN3C=CN=N3)NC=C2

DOS

IR

Vibrations