Geometry & MOs

Info

ID:	2448
PubChem CID:	7550
Reduced:	BrN2O2C9H13 (1)
Stoich.:	AB2C2D9E13 (1)
Weight, g/mol:	260.01604
ΔH_f, kcal/mol:	-66.59
Dipole, Da:	5.26
IP(EA), eV:	-8.01(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate;bromide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations