Geometry & MOs

Info

ID:	395312
PubChem CID:	135025177
Reduced:	O3C8H12 (1)
Stoich.:	A3B8C12 (1)
Weight, g/mol:	419.184506
ΔH_f, kcal/mol:	-94.91
Dipole, Da:	1.89
IP(EA), eV:	-10.52(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyano-2-[3-ethyl-7-methoxy-1-(4-methylphenyl)-2-oxoquinoxalin-5-yl]butanoate

Drug info:

PubChemData

Smile

CC[C@H]1[C@@H](O1)/C=C/C(=O)OC

DOS

IR

Vibrations