Geometry & MOs

Info

ID:	287195
PubChem CID:	104233961
Reduced:	FNOC12H14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	355.06955
ΔH_f, kcal/mol:	-18.5
Dipole, Da:	2.07
IP(EA), eV:	-9.0(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OCCC#C)F)N

DOS

IR

Vibrations