Geometry & MOs

Info

ID:	367467
PubChem CID:	127324770
Reduced:	ON6C19H32 (1)
Stoich.:	AB6C19D32 (1)
Weight, g/mol:	374.188881
ΔH_f, kcal/mol:	-26.84
Dipole, Da:	4.19
IP(EA), eV:	-8.99(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)N3CCCCC(C3)N4CCCC4

DOS

IR

Vibrations