Geometry & MOs

Info

ID:	256302
PubChem CID:	103138320
Reduced:	SN2O2C10H12 (1)
Stoich.:	AB2C2D10E12 (1)
Weight, g/mol:	261.209264
ΔH_f, kcal/mol:	-13.2
Dipole, Da:	3.78
IP(EA), eV:	-8.42(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=C(C=CS2)OC)O

DOS

IR

Vibrations