Geometry & MOs

Info

ID:	326908
PubChem CID:	126688627
Reduced:	ClSO4N5H16C18 (1)
Stoich.:	ABC4D5E16F18 (1)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	-24.25
Dipole, Da:	7.17
IP(EA), eV:	-9.33(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-methylcyclopropyl)-1-pyridin-4-ylprop-2-en-1-ol

Drug info:

PubChemData

Smile

C1C[C@@H](O[C@@H]1COS(=O)(=O)N)N2C=NC3=C(N=CN=C32)C#CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations