Geometry & MOs

Info

ID:	339570
PubChem CID:	127261560
Reduced:	ON3H14C16 (2)
Stoich.:	AB3C14D16 (2)
Weight, g/mol:	368.289974
ΔH_f, kcal/mol:	34.36
Dipole, Da:	6.97
IP(EA), eV:	-8.36(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-bis[(4-methylpiperazin-1-yl)methyl]hexanediamide

Drug info:

PubChemData

Smile

C1=CC(=CC2=NC3=C(C=CC(=C3)N(C4=CC5=C(C=C4)C=C6C=CC(=CC6=N5)N)C(=O)CCCCC(=O)N)C=C21)N

DOS

IR

Vibrations