Geometry & MOs

Info

ID:	319239
PubChem CID:	126655414
Reduced:	O2N3C9H15 (1)
Stoich.:	A2B3C9D15 (1)
Weight, g/mol:	395.199762
ΔH_f, kcal/mol:	-55.11
Dipole, Da:	4.47
IP(EA), eV:	-8.77(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-tritylpyrazol-3-yl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1C[C@@H]([C@@H](CN(C1)C2=CC=NN2)O)O

DOS

IR

Vibrations