Geometry & MOs

Info

ID:	394777
PubChem CID:	135023787
Reduced:	O5C22H26 (1)
Stoich.:	A5B22C26 (1)
Weight, g/mol:	348.111007
ΔH_f, kcal/mol:	-156.19
Dipole, Da:	4.58
IP(EA), eV:	-9.03(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(cyanomethyl)-3-(furan-2-yl)-3-oxo-2-(quinolin-2-ylmethyl)propanoate

Drug info:

PubChemData

Smile

C[C@@H](/C=C/C[C@H](C(=O)O)OCC1=CC=C(C=C1)OC)OCC2=CC=CC=C2

DOS

IR

Vibrations