Geometry & MOs

Info

ID:	189986
PubChem CID:	77936611
Reduced:	O2N5C15H17 (1)
Stoich.:	A2B5C15D17 (1)
Weight, g/mol:	326.115424
ΔH_f, kcal/mol:	-2.6
Dipole, Da:	5.59
IP(EA), eV:	-8.83(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-benzoyloxy-4-methyloxolan-2-yl) benzoate

Drug info:

PubChemData

Smile

CC1CC(OC1N2C=C(C3=C(N=CN=C32)N)C=CC#N)CO

DOS

IR

Vibrations