Geometry & MOs

Info

ID:	312834
PubChem CID:	126609088
Reduced:	N7H27C42 (1)
Stoich.:	A7B27C42 (1)
Weight, g/mol:	294.01029
ΔH_f, kcal/mol:	271.65
Dipole, Da:	4.06
IP(EA), eV:	-8.29(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromopropyl 2-(2-oxo-1,3-dioxan-5-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NC(=N2)C3=CC4=C(C=C3)C5=CC=CC=C5N4C6=CN=CC=C6)C7=CC8=C(C=C7)C9=CC=CC=C9N8C1=CN=CC=C1

DOS

IR

Vibrations