Geometry & MOs

Info

ID:	202945
PubChem CID:	79749109
Reduced:	N2O2F3H11C12 (1)
Stoich.:	A2B2C3D11E12 (1)
Weight, g/mol:	261.209264
ΔH_f, kcal/mol:	-180.48
Dipole, Da:	2.34
IP(EA), eV:	-9.94(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(2-methylphenyl)ethylamino]methyl]cycloheptan-1-ol

Drug info:

PubChemData

Smile

C1CNC(=O)CN(C1)C(=O)C2=C(C(=C(C=C2)F)F)F

DOS

IR

Vibrations