Geometry & MOs

Info

ID:	227194
PubChem CID:	87560511
Reduced:	ClN2O3C26H29 (1)
Stoich.:	AB2C3D26E29 (1)
Weight, g/mol:	407.423949
ΔH_f, kcal/mol:	-102.49
Dipole, Da:	3.78
IP(EA), eV:	-8.88(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3-methylbutylideneamino)-N-[8-(3-methylbutylideneamino)octyl]octan-1-amine

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC2=CC=CC=C21)N[C@H]3CC[C@H](C3)C4=CC=C(C=C4)C(=O)OC(=O)CN.Cl

DOS

IR

Vibrations