Geometry & MOs

Info

ID:	343801
PubChem CID:	127266977
Reduced:	N2O2F3C14H17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	316.215078
ΔH_f, kcal/mol:	-215.33
Dipole, Da:	1.93
IP(EA), eV:	-8.83(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1-(2-methoxyphenyl)cyclopentyl]methylamino]azepan-2-one

Drug info:

PubChemData

Smile

C1CC(=O)NCCC1NC2=CC=CC=C2OCC(F)(F)F

DOS

IR

Vibrations