Geometry & MOs

Info

ID:	294226
PubChem CID:	117438499
Reduced:	SN2O2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	274.077599
ΔH_f, kcal/mol:	-31.95
Dipole, Da:	9.31
IP(EA), eV:	-8.75(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dihydro-2H-thiochromen-5-yl)-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC2=C(S1)C=C(C=C2)C3=CC(=NN3C)C(=O)O

DOS

IR

Vibrations