Geometry & MOs

Info

ID:	283101
PubChem CID:	103958161
Reduced:	NSO4C11H19 (1)
Stoich.:	ABC4D11E19 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-195.27
Dipole, Da:	1.97
IP(EA), eV:	-8.6(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-3-methylbenzamide

Drug info:

PubChemData

Smile

COC(=O)C(CNC(=O)CC1CCSCC1)O

DOS

IR

Vibrations