Geometry & MOs

Info

ID:	57378
PubChem CID:	22395793
Reduced:	N2O5C21H41 (1)
Stoich.:	A2B5C21D41 (1)
Weight, g/mol:	412.366493
ΔH_f, kcal/mol:	-287.02
Dipole, Da:	6.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757872
Charge, e:	0

Chem-info

IUPAC name:

2-[dimethyl-[1-(tetradecanoylamino)butyl]azaniumyl]-2-methylpropanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)NC(C)[N+](C)(C)C(C)(CC(=O)O)C(=O)O

DOS

IR

Vibrations