Geometry & MOs

Info

ID:	340827
PubChem CID:	127263262
Reduced:	BrN2O2C23H39 (1)
Stoich.:	AB2C2D23E39 (1)
Weight, g/mol:	443.16712
ΔH_f, kcal/mol:	-116.74
Dipole, Da:	3.95
IP(EA), eV:	-7.96(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-methyl 4-O-(11-pyridin-1-ium-1-ylundecyl) butanedioate;bromide

Drug info:

PubChemData

Smile

CC(=C)C(=O)OCCCCCCCCCCCC[N+]1=CC=C(C=C1)N(C)C.[Br-]

DOS

IR

Vibrations