Geometry & MOs

Info

ID:	358175
PubChem CID:	127295720
Reduced:	ClSO2N3C19H28 (1)
Stoich.:	ABC2D3E19F28 (1)
Weight, g/mol:	308.221226
ΔH_f, kcal/mol:	-91.48
Dipole, Da:	3.91
IP(EA), eV:	-9.42(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(oxan-3-ylmethyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC(C1=CC=C(S1)Cl)NC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations