Geometry & MOs

Info

ID:	378417
PubChem CID:	134224498
Reduced:	FN3O4C39H44 (1)
Stoich.:	AB3C4D39E44 (1)
Weight, g/mol:	187.079727
ΔH_f, kcal/mol:	-182.76
Dipole, Da:	8.06
IP(EA), eV:	-8.42(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(2-fluorophenyl)-N-methylpent-2-en-4-yn-1-imine

Drug info:

PubChemData

Smile

CCN(CC)C1=C(C=C2C(=C1)OC(=C2C(=O)NC)C3=CC=C(C=C3)F)C4=CC(=CC=C4)C(=O)NC56CC7(CC(C5)(CC(C7)(C6)O)C)C

DOS

IR

Vibrations