Geometry & MOs

Info

ID:	69734
PubChem CID:	47205283
Reduced:	SN2O4C10H20 (1)
Stoich.:	AB2C4D10E20 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	-176.79
Dipole, Da:	4.18
IP(EA), eV:	-9.91(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-hydroxyphenyl)-N-(1H-pyrazol-5-ylmethyl)propanamide

Drug info:

PubChemData

Smile

COCCCNC(=O)CN1CCS(=O)(=O)CC1

DOS

IR

Vibrations