Geometry & MOs

Info

ID:	271672
PubChem CID:	103687866
Reduced:	BrON2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	42.07
Dipole, Da:	3.53
IP(EA), eV:	-8.55(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-4-[2-(1-methylpyrazol-4-yl)ethoxy]benzaldehyde

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCOC2=C(C3=CC=CC=C3C=C2)Br

DOS

IR

Vibrations