Geometry & MOs

Info

ID:	276771
PubChem CID:	103825126
Reduced:	IN2O4C13H17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	298.164105
ΔH_f, kcal/mol:	-72.89
Dipole, Da:	4.58
IP(EA), eV:	-10.16(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-hydroxy-2,2-dimethylbutyl)acetamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])I

DOS

IR

Vibrations