Geometry & MOs

Info

ID:	256309
PubChem CID:	103138353
Reduced:	ClON3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	353.13543
ΔH_f, kcal/mol:	21.1
Dipole, Da:	5.5
IP(EA), eV:	-9.75(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromophenyl)methyl]-3-(5-methyloxolan-2-yl)-N-propan-2-ylpropan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations