Geometry & MOs

Info

ID:	342009
PubChem CID:	127264702
Reduced:	SO2N4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	328.226312
ΔH_f, kcal/mol:	-30.3
Dipole, Da:	8.94
IP(EA), eV:	-8.23(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-2-phenyl-4-[(3-pyrrolidin-1-ylpropylamino)methyl]pyrazol-3-one

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)S(=O)(=O)NCC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations