Geometry & MOs

Info

ID:	361598
PubChem CID:	127303864
Reduced:	ON6C20H22 (1)
Stoich.:	AB6C20D22 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	93.86
Dipole, Da:	3.96
IP(EA), eV:	-9.46(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=CC=C2N3C=CC=N3)C4=NN=CN4C5CC5

DOS

IR

Vibrations