Geometry & MOs

Info

ID:	294927
PubChem CID:	117505707
Reduced:	BrNO2C15H16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	322.132885
ΔH_f, kcal/mol:	-9.19
Dipole, Da:	1.99
IP(EA), eV:	-9.35(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)OCC2CC2)C3(CC3)N=C=O

DOS

IR

Vibrations