Geometry & MOs

Info

ID:	354517
PubChem CID:	127287131
Reduced:	ON6C21H30 (1)
Stoich.:	AB6C21D30 (1)
Weight, g/mol:	307.200825
ΔH_f, kcal/mol:	4.07
Dipole, Da:	2.84
IP(EA), eV:	-8.76(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)N3CCN(C(C3)(C)C)CC4=CC=CC=C4

DOS

IR

Vibrations