Geometry & MOs

Info

ID:	294783
PubChem CID:	117491219
Reduced:	BrNOF2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	306.121572
ΔH_f, kcal/mol:	-112.73
Dipole, Da:	4.21
IP(EA), eV:	-9.16(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1CC2CCCN2)F)F)Br

DOS

IR

Vibrations