Geometry & MOs

Info

ID:	361671
PubChem CID:	127304008
Reduced:	ON4C15H22 (1)
Stoich.:	AB4C15D22 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	24.87
Dipole, Da:	6.2
IP(EA), eV:	-9.3(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea

Drug info:

PubChemData

Smile

C1CC1CC(=O)N2CCC(CC2)C3=NN=CN3C4CC4

DOS

IR

Vibrations