Geometry & MOs

Info

ID:	342707
PubChem CID:	127265867
Reduced:	SO2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	302.101505
ΔH_f, kcal/mol:	-7.15
Dipole, Da:	2.23
IP(EA), eV:	-8.97(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-2-[2-(2-propan-2-ylpyrazol-3-yl)ethenyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N1C(=CC=N1)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations