Geometry & MOs

Info

ID:	367191
PubChem CID:	127323959
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	12.94
Dipole, Da:	3.29
IP(EA), eV:	-9.45(0.0)
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-phenylcyclobutyl)methyl]urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NC(C3CC3)C4=CC=C(C=C4)C

DOS

IR

Vibrations