Geometry & MOs

Info

ID:	12859
PubChem CID:	147096
Reduced:	BrN4C11H16 (1)
Stoich.:	AB4C11D16 (1)
Weight, g/mol:	283.05583
ΔH_f, kcal/mol:	109.01
Dipole, Da:	8.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.173933
Charge, e:	1

Chem-info

IUPAC name:

(4-azido-2-bromophenyl)methyl-ethyl-dimethylazanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations