Geometry & MOs

Info

ID:	367465
PubChem CID:	127324714
Reduced:	ON6C16H28 (1)
Stoich.:	AB6C16D28 (1)
Weight, g/mol:	330.191657
ΔH_f, kcal/mol:	-17.92
Dipole, Da:	7.01
IP(EA), eV:	-8.88(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)N(C)CCN3CCCC3

DOS

IR

Vibrations