Geometry & MOs

Info

ID:	28663
PubChem CID:	828838
Reduced:	ClN2O2C19H21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	294.078662
ΔH_f, kcal/mol:	-40.64
Dipole, Da:	5.97
IP(EA), eV:	-8.74(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-butan-2-yl] 3-(1,3-thiazol-2-ylcarbamoyl)pyrazole-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations