Geometry & MOs

Info

ID:	367240
PubChem CID:	127324017
Reduced:	ON6C18H32 (1)
Stoich.:	AB6C18D32 (1)
Weight, g/mol:	334.24811
ΔH_f, kcal/mol:	-40.42
Dipole, Da:	1.63
IP(EA), eV:	-8.55(0.47)
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-(1-piperidin-1-ylpropan-2-yl)urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NCC(C)N3CCCC(C3)C

DOS

IR

Vibrations