Geometry & MOs

Info

ID:	39189
PubChem CID:	8139889
Reduced:	NCl2O4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	411.218487
ΔH_f, kcal/mol:	-138.57
Dipole, Da:	4.75
IP(EA), eV:	-9.31(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[(1,3-diphenylpyrazole-4-carbonyl)amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C)C)OC(=O)C1=CC=CC=C1OCC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations