Geometry & MOs

Info

ID:	367446
PubChem CID:	127324629
Reduced:	OSN7C17H25 (1)
Stoich.:	ABC7D17E25 (1)
Weight, g/mol:	277.19026
ΔH_f, kcal/mol:	25.93
Dipole, Da:	3.35
IP(EA), eV:	-9.03(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-1-ethyl-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)N3CCN(CC3)CC4=CSC=N4

DOS

IR

Vibrations