Geometry & MOs

Info

ID:	319323
PubChem CID:	126655649
Reduced:	O2N3C9H15 (1)
Stoich.:	A2B3C9D15 (1)
Weight, g/mol:	391.204848
ΔH_f, kcal/mol:	-45.45
Dipole, Da:	5.07
IP(EA), eV:	-8.7(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methyl-2,5-dihydropyrrol-1-yl)-1-tritylpyrazole

Drug info:

PubChemData

Smile

C[C@]1(CN(C[C@@H]1OC)C2=CC=NN2)O

DOS

IR

Vibrations