Geometry & MOs

Info

ID:	328416
PubChem CID:	126722952
Reduced:	FN2S3C49H75 (1)
Stoich.:	AB2C3D49E75 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-73.09
Dipole, Da:	3.07
IP(EA), eV:	-8.28(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(2-butoxy-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC1(C2=C(C3=C1C=C(S3)C4=CC(=C(C5=NSN=C45)C)F)SC(=C2)C)CCCCCCCCCCCCCCCC

DOS

IR

Vibrations