Geometry & MOs

Info

ID:	319213
PubChem CID:	126655341
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	35.06
Dipole, Da:	5.05
IP(EA), eV:	-8.39(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzylpyrazol-3-yl)-3-methylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NN(C=C2)CC3=CC=CC=C3)C=O

DOS

IR

Vibrations