Geometry & MOs

Info

ID:	255619
PubChem CID:	103133459
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	6.32
Dipole, Da:	3.3
IP(EA), eV:	-8.69(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-methyl-4-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)(C(=O)C1=NN(C=C1)C)N2CCNCC2

DOS

IR

Vibrations