Geometry & MOs

Info

ID:	197094
PubChem CID:	78921469
Reduced:	BrN3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	219.083019
ΔH_f, kcal/mol:	68.48
Dipole, Da:	4.36
IP(EA), eV:	-9.09(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC(=N1)CNCC2=CC=C(C=C2)Br

DOS

IR

Vibrations