Geometry & MOs

Info

ID:	367329
PubChem CID:	127324218
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	382.222957
ΔH_f, kcal/mol:	-79.67
Dipole, Da:	2.93
IP(EA), eV:	-8.98(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NC(=O)NC2CCN(C2)C3CC3

DOS

IR

Vibrations