Geometry & MOs

Info

ID:	256353
PubChem CID:	103138706
Reduced:	ClN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	261.209264
ΔH_f, kcal/mol:	-29.64
Dipole, Da:	5.74
IP(EA), eV:	-8.84(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methyloxolan-2-yl)-2-phenyl-N-propylpropan-1-amine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(COC2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations