Geometry & MOs

Info

ID:	321162
PubChem CID:	126665073
Reduced:	OC8H13 (2)
Stoich.:	AB8C13 (2)
Weight, g/mol:	312.12348
ΔH_f, kcal/mol:	-121.71
Dipole, Da:	3.3
IP(EA), eV:	-9.93(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-aminooctyl-dimethyl-(2-sulfanylethyl)azanium;bromide

Drug info:

PubChemData

Smile

CC1CC(=O)C(C1(C)C)(C2CCCCC2)C(=O)C

DOS

IR

Vibrations