Geometry & MOs

Info

ID:	367464
PubChem CID:	127324704
Reduced:	ON5C20H27 (1)
Stoich.:	AB5C20D27 (1)
Weight, g/mol:	320.23246
ΔH_f, kcal/mol:	-3.95
Dipole, Da:	3.07
IP(EA), eV:	-9.38(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)N3CCC(C3)C4=CC=CC=C4C

DOS

IR

Vibrations