Geometry & MOs

Info

ID:	298437
PubChem CID:	117649478
Reduced:	NO3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	650.741701
ΔH_f, kcal/mol:	-128.45
Dipole, Da:	2.41
IP(EA), eV:	-8.88(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

dimethyl-[2-(methyl-octadecyl-propylazaniumyl)ethyl]-octadecylazanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](C)C(=O)[C@@H](C2=CC=C(C=C2)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations