Geometry & MOs

Info

ID:	207841
PubChem CID:	80458993
Reduced:	FO2N3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	355.06955
ΔH_f, kcal/mol:	-78.55
Dipole, Da:	3.79
IP(EA), eV:	-9.23(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-5-ethyl-2-methylpyrazol-3-yl)-1-(2-fluoro-6-methoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

CC(C)CN1C(=NC=N1)CC(C2=C(C=CC=C2F)OC)O

DOS

IR

Vibrations