Geometry & MOs

Info

ID:	329389
PubChem CID:	126735997
Reduced:	NH31C32 (1)
Stoich.:	AB31C32 (1)
Weight, g/mol:	317.141579
ΔH_f, kcal/mol:	97.89
Dipole, Da:	1.94
IP(EA), eV:	-7.81(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(E)-2-quinolin-2-ylprop-1-enyl]phenyl]methyl acetate

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1N(C2=CC=CC=C2)C3=CC=C(C=C3)/C=C/C=C/C4=CC=CC=C4)C)C

DOS

IR

Vibrations