Geometry & MOs

Info

ID:	367321
PubChem CID:	127324136
Reduced:	SO2N6C18H30 (1)
Stoich.:	AB2C6D18E30 (1)
Weight, g/mol:	382.24811
ΔH_f, kcal/mol:	-56.06
Dipole, Da:	2.42
IP(EA), eV:	-8.76(0.37)
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-(1-phenylethyl)pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NCC3(CCSC3)N4CCOCC4

DOS

IR

Vibrations