Geometry & MOs

Info

ID:	254833
PubChem CID:	103128054
Reduced:	SN4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	258.093918
ΔH_f, kcal/mol:	86.84
Dipole, Da:	3.27
IP(EA), eV:	-8.64(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

CCNC(CC1=CN=CS1)C2=NN(C3=CC=CC=C32)C

DOS

IR

Vibrations