Geometry & MOs

Info

ID:	368731
PubChem CID:	127329951
Reduced:	ON3C8H14 (2)
Stoich.:	AB3C8D14 (2)
Weight, g/mol:	323.177982
ΔH_f, kcal/mol:	-59.26
Dipole, Da:	3.12
IP(EA), eV:	-8.73(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CCOC)C(=O)NC2CCC3=NC(=NN3C2)C

DOS

IR

Vibrations