Geometry & MOs

Info

ID:	123989
PubChem CID:	50869054
Reduced:	ClN2C23H27 (1)
Stoich.:	AB2C23D27 (1)
Weight, g/mol:	435.171355
ΔH_f, kcal/mol:	31.36
Dipole, Da:	3.73
IP(EA), eV:	-7.76(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)C)C=NC3=CC=CC=C3Cl)C(=CC1(C)C)C

DOS

IR

Vibrations