Geometry & MOs

Info

ID:	287276
PubChem CID:	104234232
Reduced:	FON4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	355.06955
ΔH_f, kcal/mol:	-29.78
Dipole, Da:	3.6
IP(EA), eV:	-9.44(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4-bromo-2-ethyl-5-methylpyrazol-3-yl)methoxy]-3-fluorophenyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)N1C(=NC=N1)COC2=C(C=C(C=C2)C(C)N)F

DOS

IR

Vibrations