Geometry & MOs

Info

ID:	405031
PubChem CID:	135072244
Reduced:	N2C17H24 (1)
Stoich.:	A2B17C24 (1)
Weight, g/mol:	280.137577
ΔH_f, kcal/mol:	54.06
Dipole, Da:	2.68
IP(EA), eV:	-9.6(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-(4-fluorophenyl)-4-isocyanobutan-1-imine

Drug info:

PubChemData

Smile

CCCCCCN=C(CCC[N+]#[C-])C1=CC=CC=C1

DOS

IR

Vibrations