Geometry & MOs

Info

ID:	367122
PubChem CID:	127323393
Reduced:	O3N5C17H29 (1)
Stoich.:	A3B5C17D29 (1)
Weight, g/mol:	306.180424
ΔH_f, kcal/mol:	-125.48
Dipole, Da:	1.06
IP(EA), eV:	-9.37(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1=O)NC(=O)N2CCN(CC2)CC(=O)NC3CC3

DOS

IR

Vibrations