Geometry & MOs

Info

ID:	205789
PubChem CID:	80157852
Reduced:	BrO2N4H11C14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	224.150033
ΔH_f, kcal/mol:	73.62
Dipole, Da:	6.56
IP(EA), eV:	-9.34(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,2,2-trifluoroethylamino)methyl]cycloheptan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)CNC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations