Geometry & MOs

Info

ID:	280606
PubChem CID:	103850160
Reduced:	FN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	192.058658
ΔH_f, kcal/mol:	-157.43
Dipole, Da:	5.93
IP(EA), eV:	-10.52(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-but-3-ynoxy-3-fluorobenzaldehyde

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)O)NC(=O)C1=CC(=NC=C1)F

DOS

IR

Vibrations