Geometry & MOs

Info

ID:	2441
PubChem CID:	7535
Reduced:	ClON2C23H41 (1)
Stoich.:	ABC2D23E41 (1)
Weight, g/mol:	396.290742
ΔH_f, kcal/mol:	-21.56
Dipole, Da:	40.29
IP(EA), eV:	-5.48(-2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl-[2-(dodecylamino)-2-oxoethyl]-dimethylazanium;chloride

Drug info:

PubChemData

Smile

CCCCCCCCCCCCNC(=O)C[N+](C)(C)CC1=CC=CC=C1.[Cl-]

DOS

IR

Vibrations