Geometry & MOs

Info

ID:	28773
PubChem CID:	829538
Reduced:	SN4H14C17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	331.125154
ΔH_f, kcal/mol:	110.02
Dipole, Da:	2.76
IP(EA), eV:	-9.01(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=CN4C3=NN=C4C5=CC=CC=C5

DOS

IR

Vibrations