Geometry & MOs

Info

ID:	353957
PubChem CID:	127285597
Reduced:	SO2N4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	321.216475
ΔH_f, kcal/mol:	-79.68
Dipole, Da:	4.24
IP(EA), eV:	-8.68(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylpyrazol-3-yl)-3-[(4-pyrrolidin-1-yloxan-4-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC(=N2)NC(=O)NCC3(CCOCC3)N4CCCC4

DOS

IR

Vibrations