Geometry & MOs

Info

ID:	256
PubChem CID:	2431
Reduced:	BrNC11H17 (1)
Stoich.:	ABC11D17 (1)
Weight, g/mol:	242.05444
ΔH_f, kcal/mol:	37.92
Dipole, Da:	5.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.011011
Charge, e:	1

Chem-info

IUPAC name:

(2-bromophenyl)methyl-ethyl-dimethylazanium

Drug info:

PubChemData

Smile

CC[N+](C)(C)CC1=CC=CC=C1Br

DOS

IR

Vibrations