Geometry & MOs

Info

ID:	55039
PubChem CID:	17389690
Reduced:	NOH3C4 (2)
Stoich.:	ABC3D4 (2)
Weight, g/mol:	275.08437
ΔH_f, kcal/mol:	60.88
Dipole, Da:	3.39
IP(EA), eV:	-10.32(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-methoxyphenyl)azepane;hydrochloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations