Geometry & MOs

Info

ID:	205550
PubChem CID:	80119820
Reduced:	BrClF2H12C15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-74.01
Dipole, Da:	4.07
IP(EA), eV:	-9.48(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)C(CC2=CC=C(C=C2)Br)Cl)F

DOS

IR

Vibrations