Geometry & MOs

Info

ID:	232990
PubChem CID:	87577881
Reduced:	BrO2N3C24H27 (2)
Stoich.:	AB2C3D24E27 (2)
Weight, g/mol:	238.039672
ΔH_f, kcal/mol:	-12.0
Dipole, Da:	4.31
IP(EA), eV:	-8.05(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-4-prop-2-ynoxybenzoyl chloride

Drug info:

PubChemData

Smile

C1COCCC1N(C2=CC(=CC3=C2NC(=C3Br)C4=CC=CC=C4)CN5CCOCC5)N(C6CCOCC6)C7=CC(=CC8=C7NC(=C8Br)C9=CC=CC=C9)CN1CCOCC1

DOS

IR

Vibrations