Geometry & MOs

Info

ID:	306104
PubChem CID:	125001648
Reduced:	ON4C23H32 (1)
Stoich.:	AB4C23D32 (1)
Weight, g/mol:	241.157898
ΔH_f, kcal/mol:	-3.97
Dipole, Da:	7.27
IP(EA), eV:	-8.64(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole

Drug info:

PubChemData

Smile

CN1CCC(CC1)(CC2=CC=CC=C2)C(=O)N3CCC[C@@H](C3)CC4=CC=NN4

DOS

IR

Vibrations