Geometry & MOs

Info

ID:	323594
PubChem CID:	126675539
Reduced:	OC16H18 (1)
Stoich.:	AB16C18 (1)
Weight, g/mol:	356.00217
ΔH_f, kcal/mol:	-16.74
Dipole, Da:	1.53
IP(EA), eV:	-8.78(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4-iodopyrazol-1-yl)-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1CCC(C1)OCC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations