Geometry & MOs

Info

ID:	123979
PubChem CID:	50868594
Reduced:	N3O5C28H29 (1)
Stoich.:	A3B5C28D29 (1)
Weight, g/mol:	415.225977
ΔH_f, kcal/mol:	-147.12
Dipole, Da:	8.38
IP(EA), eV:	-8.24(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)C)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5)C(=CC1(C)C)C

DOS

IR

Vibrations