Geometry & MOs

Info

ID:	7477
PubChem CID:	72950
Reduced:	ON2C26H47 (1)
Stoich.:	AB2C26D47 (1)
Weight, g/mol:	403.368839
ΔH_f, kcal/mol:	-73.33
Dipole, Da:	4.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.123005
Charge, e:	1

Chem-info

IUPAC name:

benzyl-dimethyl-[3-(tetradecanoylamino)propyl]azanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1

DOS

IR

Vibrations