Geometry & MOs

Info

ID:	4488
PubChem CID:	11481
Reduced:	BrN2O2C15H17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	336.04734
ΔH_f, kcal/mol:	-40.4
Dipole, Da:	6.17
IP(EA), eV:	-7.91(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C(=O)OC1=C[N+](=CC=C1)CC2=CC=CC=C2.[Br-]

DOS

IR

Vibrations