Geometry & MOs

Info

ID:	190008
PubChem CID:	77940147
Reduced:	O2C13H19 (2)
Stoich.:	A2B13C19 (2)
Weight, g/mol:	424.272593
ΔH_f, kcal/mol:	-204.9
Dipole, Da:	4.9
IP(EA), eV:	-9.81(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-(4-butoxy-3-methylquinolin-2-yl)ethenyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CCC1(C(CC2C1(CCC3C2C4CC4C5=CC(=O)CCC35C)C)C)O

DOS

IR

Vibrations