Geometry & MOs

Info

ID:	123973
PubChem CID:	50868308
Reduced:	ON4C29H32 (1)
Stoich.:	AB4C29D32 (1)
Weight, g/mol:	405.241627
ΔH_f, kcal/mol:	38.83
Dipole, Da:	6.74
IP(EA), eV:	-8.07(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-N-[(E)-(2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NCCC3=CNC4=CC=CC=C43)C(=CC1(C)C)C

DOS

IR

Vibrations