Geometry & MOs

Info

ID:	150465
PubChem CID:	53790155
Reduced:	SC7H14 (1)
Stoich.:	AB7C14 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	-12.25
Dipole, Da:	2.23
IP(EA), eV:	-8.9(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-methyl-5-phenyl-1-pyridin-3-ylpyrazol-4-yl)acetate

Drug info:

PubChemData

Smile

CCCCC=CCS

DOS

IR

Vibrations