Geometry & MOs

Info

ID:	245765
PubChem CID:	103023865
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	264.104482
ΔH_f, kcal/mol:	-30.97
Dipole, Da:	5.17
IP(EA), eV:	-8.72(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)CCC2=CC=C(C=C2)OC

DOS

IR

Vibrations