Geometry & MOs

Info

ID:	340825
PubChem CID:	127263260
Reduced:	BrNO2C18H28 (1)
Stoich.:	ABC2D18E28 (1)
Weight, g/mol:	510.28209
ΔH_f, kcal/mol:	-88.07
Dipole, Da:	4.68
IP(EA), eV:	-7.59(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-[4-(dimethylamino)pyridin-1-ium-1-yl]hexadecyl 2-methylprop-2-enoate;bromide

Drug info:

PubChemData

Smile

CC1=CC=[N+](C=C1)CCCCCCCCOC(=O)C(=C)C.[Br-]

DOS

IR

Vibrations