Geometry & MOs

Info

ID:	358112
PubChem CID:	127295657
Reduced:	SO3N4C16H26 (1)
Stoich.:	AB3C4D16E26 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-97.29
Dipole, Da:	4.22
IP(EA), eV:	-8.67(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-tert-butyl-2-(2-methylphenyl)pyrazol-3-yl]-1-methyl-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NC2=NC(=CS2)CN3CCOCC3

DOS

IR

Vibrations