Geometry & MOs

Info

ID:	268206
PubChem CID:	103598374
Reduced:	NSO2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	333.147727
ΔH_f, kcal/mol:	-40.79
Dipole, Da:	1.42
IP(EA), eV:	-8.75(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-pyridin-4-ylprop-2-enoate

Drug info:

PubChemData

Smile

CSCCOC(=O)C=CC1=CC=NC=C1

DOS

IR

Vibrations