Geometry & MOs

Info

ID:	356778
PubChem CID:	127292318
Reduced:	ON4C18H28 (1)
Stoich.:	AB4C18D28 (1)
Weight, g/mol:	362.188881
ΔH_f, kcal/mol:	-37.59
Dipole, Da:	3.44
IP(EA), eV:	-9.09(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CN2)C(=O)NCCC3CC4CCC3C4

DOS

IR

Vibrations