Geometry & MOs

Info

ID:	2680
PubChem CID:	8246
Reduced:	BrN2O2C12H19 (1)
Stoich.:	AB2C2D12E19 (1)
Weight, g/mol:	302.06299
ΔH_f, kcal/mol:	-50.63
Dipole, Da:	10.35
IP(EA), eV:	-7.32(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(dimethylcarbamoyloxy)phenyl]-trimethylazanium;bromide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations