Geometry & MOs

Info

ID:	57376
PubChem CID:	22395789
Reduced:	NC9H16 (1)
Stoich.:	AB9C16 (1)
Weight, g/mol:	461.322677
ΔH_f, kcal/mol:	45.0
Dipole, Da:	0.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750419
Charge, e:	1

Chem-info

IUPAC name:

(1,2-dicarboxy-4-hydroxybutan-2-yl)-[1-(dodecanoylamino)-3-hydroxypropyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1.[NH4+]

DOS

IR

Vibrations