Geometry & MOs

Info

ID:	7308
PubChem CID:	72101
Reduced:	ClO2N3C25H44 (1)
Stoich.:	AB2C3D25E44 (1)
Weight, g/mol:	453.312205
ΔH_f, kcal/mol:	-134.93
Dipole, Da:	9.55
IP(EA), eV:	-8.52(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-anilino-2-oxoethyl)-[2-[dodecanoyl(methyl)amino]ethyl]-dimethylazanium;chloride

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)N(C)CC[N+](C)(C)CC(=O)NC1=CC=CC=C1.[Cl-]

DOS

IR

Vibrations