Geometry & MOs

Info

ID:	15168
PubChem CID:	431749
Reduced:	ON2C22H47 (1)
Stoich.:	AB2C22D47 (1)
Weight, g/mol:	355.368839
ΔH_f, kcal/mol:	-103.64
Dipole, Da:	3.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751042
Charge, e:	1

Chem-info

IUPAC name:

2-acetamidoethyl-hexadecyl-dimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC[N+](C)(C)CCNC(=O)C

DOS

IR

Vibrations