Geometry & MOs

Info

ID:	367182
PubChem CID:	127323948
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-40.83
Dipole, Da:	4.66
IP(EA), eV:	-9.4(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2CC(CCC2C1)NC(=O)NCCN3C=CC=N3

DOS

IR

Vibrations