Geometry & MOs

Info

ID:	356857
PubChem CID:	127292449
Reduced:	ON6C19H32 (1)
Stoich.:	AB6C19D32 (1)
Weight, g/mol:	362.188881
ΔH_f, kcal/mol:	-30.65
Dipole, Da:	7.46
IP(EA), eV:	-8.4(0.81)
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-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2CCN(C2)C(=O)NCC3=CN4CCCCC4=N3

DOS

IR

Vibrations