Geometry & MOs

Info

ID:	278902
PubChem CID:	103839741
Reduced:	ClN2O3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	226.142976
ΔH_f, kcal/mol:	-122.23
Dipole, Da:	1.68
IP(EA), eV:	-8.79(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1CC2=C(O1)C=CC(=C2)Cl)(CN(C)C)O

DOS

IR

Vibrations