Geometry & MOs

Info

ID:	256400
PubChem CID:	103139019
Reduced:	ClFNOH11C16 (1)
Stoich.:	ABCDE11F16 (1)
Weight, g/mol:	227.224915
ΔH_f, kcal/mol:	-26.38
Dipole, Da:	2.84
IP(EA), eV:	-9.46(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2,3-dimethyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=CC(=C(C=C3)F)Cl)O

DOS

IR

Vibrations