Geometry & MOs

Info

ID:	358190
PubChem CID:	127295735
Reduced:	ClSO2N3C19H28 (1)
Stoich.:	ABC2D3E19F28 (1)
Weight, g/mol:	357.216475
ΔH_f, kcal/mol:	-89.16
Dipole, Da:	2.94
IP(EA), eV:	-9.32(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]methyl]-1-methyl-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NCCC3=CC=C(S3)Cl

DOS

IR

Vibrations