Geometry & MOs

Info

ID:	367451
PubChem CID:	127324676
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	263.17461
ΔH_f, kcal/mol:	-4.04
Dipole, Da:	3.4
IP(EA), eV:	-9.46(0.27)
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-methylcyclopropyl)urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)N3CCCC(CC3)C4=CC=CC=C4

DOS

IR

Vibrations