Geometry & MOs

Info

ID:	29393
PubChem CID:	833516
Reduced:	SN2O5H12C16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	-51.0
Dipole, Da:	3.87
IP(EA), eV:	-8.73(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-methylpyrazole-1-carbonyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2O)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations