Geometry & MOs

Info

ID:	367235
PubChem CID:	127324012
Reduced:	ON6C20H36 (1)
Stoich.:	AB6C20D36 (1)
Weight, g/mol:	336.227374
ΔH_f, kcal/mol:	-48.3
Dipole, Da:	4.31
IP(EA), eV:	-8.65(0.56)
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-(2-morpholin-4-ylpropyl)urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NCC(C(C)C)N3CCC(CC3)C

DOS

IR

Vibrations