Geometry & MOs

Info

ID:	222293
PubChem CID:	85296338
Reduced:	ClNOC20H20 (1)
Stoich.:	ABCD20E20 (1)
Weight, g/mol:	326.01537
ΔH_f, kcal/mol:	-5.74
Dipole, Da:	1.64
IP(EA), eV:	-8.37(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-methoxy-6-oxohex-4-en-2-yl) 4-bromobenzoate

Drug info:

PubChemData

Smile

C1CC2CC(=O)C(C1)C(N2C3=CC=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations