Geometry & MOs

Info

ID:	273503
PubChem CID:	103771245
Reduced:	SN2O5C13H22 (1)
Stoich.:	AB2C5D13E22 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-189.48
Dipole, Da:	4.0
IP(EA), eV:	-9.93(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-1-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC=C(O1)S(=O)(=O)N(C)C)O

DOS

IR

Vibrations