Geometry & MOs

Info

ID:	196622
PubChem CID:	78855657
Reduced:	SN2O4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-149.78
Dipole, Da:	7.45
IP(EA), eV:	-9.62(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-N-(2-hydroxyethyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCCN(CCO)C(=O)C1=C(C=CC(=C1)S(=O)(=O)NC2CC2)C

DOS

IR

Vibrations