Geometry & MOs

Info

ID:	436415
PubChem CID:	135200651
Reduced:	SN2O2C23H26 (1)
Stoich.:	AB2C2D23E26 (1)
Weight, g/mol:	230.13789
ΔH_f, kcal/mol:	-45.62
Dipole, Da:	3.23
IP(EA), eV:	-8.58(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[dimethylamino(hydroxy)methyl]-hydroxyamino]-2,4,5-trimethylpyrazol-3-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)N(C)C3=CC=C(C=C3)SC)C(=CC1=O)C(C)C

DOS

IR

Vibrations