Geometry & MOs

Info

ID:	226711
PubChem CID:	87557025
Reduced:	ON2C12H22 (1)
Stoich.:	AB2C12D22 (1)
Weight, g/mol:	516.078967
ΔH_f, kcal/mol:	-51.68
Dipole, Da:	2.62
IP(EA), eV:	-9.62(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-(methoxymethyl)-4-phenyl-3,4-dihydropyrazole-2-carboximidamide

Drug info:

PubChemData

Smile

CCCC[C@@](CC)(C#N)C(=O)N(C)CC

DOS

IR

Vibrations