Geometry & MOs

Info

ID:	139405
PubChem CID:	52522902
Reduced:	N3O4H17C20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	388.246098
ΔH_f, kcal/mol:	-75.69
Dipole, Da:	3.2
IP(EA), eV:	-8.87(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-methyl-N-[1-[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl]piperidin-1-ium-4-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CC2=C3C(=CC=C2)OCCO3)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations