Geometry & MOs

Info

ID:	356779
PubChem CID:	127292319
Reduced:	OSN6C17H26 (1)
Stoich.:	ABC6D17E26 (1)
Weight, g/mol:	335.232125
ΔH_f, kcal/mol:	-3.66
Dipole, Da:	6.31
IP(EA), eV:	-9.38(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-2-ylmethyl)-1-propyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CC(C1=NC(=CS1)C(C)(C)C)NC(=O)NCC2=NN=C3N2CCCC3

DOS

IR

Vibrations