Geometry & MOs

Info

ID:

14948

PubChem CID:

425064

Reduced:

NOC9H15 (4)

Stoich.:

ABC9D15 (4)

Weight, g/mol:

612.461456

ΔHf, kcal/mol:

-100.81

Dipole, Da:

4.75

IP(EA), eV:

 -6.43(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

2-[4-(dimethylcarbamoyloxy)phenyl]ethyl-[10-[2-[4-(dimethylcarbamoyloxy)phenyl]ethyl-dimethylazaniumyl]decyl]-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)C(=O)OC1=CC=C(C=C1)CC[N+](C)(C)CCCCCCCCCC[N+](C)(C)CCC2=CC=C(C=C2)OC(=O)N(C)C

DOS

IR

Vibrations