Geometry & MOs

Info

ID:	255745
PubChem CID:	103134460
Reduced:	BrF2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-22.38
Dipole, Da:	2.35
IP(EA), eV:	-9.18(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(5-methyloxolan-2-yl)methoxy]benzaldehyde

Drug info:

PubChemData

Smile

CNC(C1=NN(C=C1)C)C2=C(C=C(C=C2F)Br)F

DOS

IR

Vibrations