Geometry & MOs

Info

ID:	149193
PubChem CID:	53788865
Reduced:	NO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	421.167142
ΔH_f, kcal/mol:	-143.31
Dipole, Da:	4.52
IP(EA), eV:	-9.28(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,5-dimethyl-4-(2,3,5-trimethyl-4-methylsulfonylbenzoyl)pyrazol-3-yl]oxy-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

C1CN(C[C@H]1C2(CC2)C(=O)O)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations