Geometry & MOs

Info

ID:	45892
PubChem CID:	10518773
Reduced:	BrNOCl2H6C10 (1)
Stoich.:	ABCD2E6F10 (1)
Weight, g/mol:	306.01029
ΔH_f, kcal/mol:	-3.85
Dipole, Da:	1.47
IP(EA), eV:	-9.3(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-3-bromo-5-(3-methoxy-3-oxoprop-1-en-2-yl)oxypent-2-enoate

Drug info:

PubChemData

Smile

COC1=NC2=CC(=C(C=C2C=C1Br)Cl)Cl

DOS

IR

Vibrations