Geometry & MOs

Info

ID:	275833
PubChem CID:	103818217
Reduced:	NF3H12C14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	357.02435
ΔH_f, kcal/mol:	-108.02
Dipole, Da:	5.09
IP(EA), eV:	-8.86(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)CNC2=CC(=CC(=C2)F)F

DOS

IR

Vibrations