Geometry & MOs

Info

ID:	55013
PubChem CID:	17389660
Reduced:	BrNH6C8 (1)
Stoich.:	ABC6D8 (1)
Weight, g/mol:	253.159728
ΔH_f, kcal/mol:	67.84
Dipole, Da:	1.18
IP(EA), eV:	-9.55(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-phenylpropyl)azepane;hydrochloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations