Geometry & MOs

Info

ID:	73830
PubChem CID:	48420611
Reduced:	NOH7C8 (3)
Stoich.:	ABC7D8 (3)
Weight, g/mol:	371.126991
ΔH_f, kcal/mol:	-6.57
Dipole, Da:	5.44
IP(EA), eV:	-9.44(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 2-(2-oxoquinoxalin-1-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)CCC(=O)OC(C3=CC=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations