Geometry & MOs

Info

ID:	10759
PubChem CID:	107757
Reduced:	N3O6C34H60 (1)
Stoich.:	A3B6C34D60 (1)
Weight, g/mol:	606.448212
ΔH_f, kcal/mol:	-328.01
Dipole, Da:	6.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.957034
Charge, e:	1

Chem-info

IUPAC name:

[2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC1=CC=CC=[N+]1CC)C(=O)C)OC

DOS

IR

Vibrations