Geometry & MOs

Info

ID:	123971
PubChem CID:	50868306
Reduced:	ON2C23H28 (1)
Stoich.:	AB2C23D28 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	12.49
Dipole, Da:	3.76
IP(EA), eV:	-7.66(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)C=NC3=CC=C(C=C3)OC)C(=CC1(C)C)C

DOS

IR

Vibrations