Geometry & MOs

Info

ID:	356858
PubChem CID:	127292450
Reduced:	OSN6C17H26 (1)
Stoich.:	ABC6D17E26 (1)
Weight, g/mol:	335.243359
ΔH_f, kcal/mol:	-6.1
Dipole, Da:	3.05
IP(EA), eV:	-9.44(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)NC(C)C3=NC(=CS3)C(C)(C)C

DOS

IR

Vibrations