Geometry & MOs

Info

ID:	367194
PubChem CID:	127323962
Reduced:	ON6C17H28 (1)
Stoich.:	AB6C17D28 (1)
Weight, g/mol:	357.18009
ΔH_f, kcal/mol:	-6.21
Dipole, Da:	5.66
IP(EA), eV:	-9.23(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)CCNC(=O)NC3CCN(C3)C4CC4

DOS

IR

Vibrations