Geometry & MOs

Info

ID:	243763
PubChem CID:	99234683
Reduced:	N3O3H23C25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	444.216141
ΔH_f, kcal/mol:	-3.03
Dipole, Da:	3.48
IP(EA), eV:	-8.7(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-4-yl)propyl 3-[3-oxo-4-(2-phenylethyl)quinoxalin-2-yl]propanoate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCCOC(=O)C2=C3CC/C(=C/C4=CC=CO4)/C3=NC5=CC=CC=C52

DOS

IR

Vibrations