Geometry & MOs

Info

ID:	370595
PubChem CID:	127339733
Reduced:	SO2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-28.05
Dipole, Da:	5.14
IP(EA), eV:	-9.13(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-3-[2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-oxoethyl]urea

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(CC2)C(=O)C3CCCN3C(=O)CC4=CC=CS4

DOS

IR

Vibrations