Geometry & MOs

Info

ID:	66489
PubChem CID:	46504672
Reduced:	N3O4C29H37 (1)
Stoich.:	A3B4C29D37 (1)
Weight, g/mol:	471.288577
ΔH_f, kcal/mol:	-126.06
Dipole, Da:	4.28
IP(EA), eV:	-7.9(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(3-methylbutoxy)phenyl]-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC3=C(C=C2)N=C(C=C3C)N4CCC(CC4)C

DOS

IR

Vibrations