Geometry & MOs

Info

ID:	190471
PubChem CID:	78009608
Reduced:	FNO8C36H36 (1)
Stoich.:	ABC8D36E36 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-307.9
Dipole, Da:	2.3
IP(EA), eV:	-8.62(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-ethyl-4-methylpentylidene)amino]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2C(C(=O)N2C3=CC=C(C=C3)C4=CC=C(C=C4)C5C(C(C(C(O5)CO)O)O)O)CCC(C6=CC=C(C=C6)F)O)O

DOS

IR

Vibrations