Geometry & MOs

Info

ID:	282415
PubChem CID:	103926100
Reduced:	BrO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	317.126106
ΔH_f, kcal/mol:	-28.07
Dipole, Da:	3.95
IP(EA), eV:	-8.75(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylsulfanylcyclopentan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC2=CN=C(C=C2)Br)OCC(=O)N

DOS

IR

Vibrations