Geometry & MOs

Info

ID:	378428
PubChem CID:	134224509
Reduced:	O3N8C34H40 (1)
Stoich.:	A3B8C34D40 (1)
Weight, g/mol:	220.037173
ΔH_f, kcal/mol:	23.21
Dipole, Da:	3.82
IP(EA), eV:	-8.88(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nona-1,3(7),6(9)-trien-2-yl) butanoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NO1)[C@@H](C(=O)NC2CCCC(C2)CN3C4=NC=NC(=C4C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)N)NC

DOS

IR

Vibrations