Geometry & MOs

Info

ID:	212026
PubChem CID:	81059248
Reduced:	N2O2F3C12H17 (1)
Stoich.:	A2B2C3D12E17 (1)
Weight, g/mol:	298.181191
ΔH_f, kcal/mol:	-218.27
Dipole, Da:	6.42
IP(EA), eV:	-8.77(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-1-N-methyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine

Drug info:

PubChemData

Smile

CCOCCN(C)C1=CC(=C(C=C1N)F)OC(F)F

DOS

IR

Vibrations