Geometry & MOs

Info

ID:	255540
PubChem CID:	103132812
Reduced:	ON2H10C16 (1)
Stoich.:	AB2C10D16 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	88.01
Dipole, Da:	13.58
IP(EA), eV:	-8.1(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

C1=C/C(=C/2\C=CC(=O)C(=C2)C#N)/C3=CNC=CC3=C1

DOS

IR

Vibrations