Geometry & MOs

Info

ID:	368455
PubChem CID:	127328740
Reduced:	ON5C21H35 (1)
Stoich.:	AB5C21D35 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-56.97
Dipole, Da:	2.37
IP(EA), eV:	-9.38(0.53)
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-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC2CCCN(C2)C(=O)NC3CCC4CCCCC4C3

DOS

IR

Vibrations