Geometry & MOs

Info

ID:	318229
PubChem CID:	126649873
Reduced:	BrO2F3C10H10 (1)
Stoich.:	AB2C3D10E10 (1)
Weight, g/mol:	236.094963
ΔH_f, kcal/mol:	-227.5
Dipole, Da:	5.32
IP(EA), eV:	-9.61(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(naphthalen-1-ylmethyl)pyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)Br)OCCCO

DOS

IR

Vibrations