Geometry & MOs

Info

ID:	4640
PubChem CID:	11793
Reduced:	NC12H19 (2)
Stoich.:	AB12C19 (2)
Weight, g/mol:	354.303499
ΔH_f, kcal/mol:	97.62
Dipole, Da:	5.2
IP(EA), eV:	-5.79(0.7)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

trimethyl-[4-[4-[4-(trimethylazaniumyl)phenyl]hexan-3-yl]phenyl]azanium

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)[N+](C)(C)C)C(CC)C2=CC=C(C=C2)[N+](C)(C)C

DOS

IR

Vibrations