Geometry & MOs

Info

ID:	207438
PubChem CID:	80396075
Reduced:	BrFON2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	212.188863
ΔH_f, kcal/mol:	-65.5
Dipole, Da:	4.58
IP(EA), eV:	-9.1(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[3-(methylamino)propyl]amino]cycloheptan-1-one

Drug info:

PubChemData

Smile

CNCCCN(C)C(=O)C1=C(C=C(C=C1)Br)F

DOS

IR

Vibrations