Geometry & MOs

Info

ID:	59836
PubChem CID:	24899034
Reduced:	OSN5C20H21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	361.167794
ΔH_f, kcal/mol:	46.97
Dipole, Da:	4.73
IP(EA), eV:	-8.66(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-3-[2-[(E)-(2-oxo-1,4-dihydroquinolin-3-ylidene)methyl]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)N=CN2CC3=C(N=C4N3C=CC=C4)SCCCC(=O)N

DOS

IR

Vibrations