Geometry & MOs

Info

ID:	172023
PubChem CID:	75455330
Reduced:	SN4O4C15H20 (1)
Stoich.:	AB4C4D15E20 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-109.39
Dipole, Da:	6.16
IP(EA), eV:	-8.88(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(4-propan-2-ylphenoxy)acetamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1CNC(=O)C2=CC=CC=C2NS(=O)(=O)C)OC)C

DOS

IR

Vibrations