Geometry & MOs

Info

ID:	280322
PubChem CID:	103848416
Reduced:	SN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	293.199094
ΔH_f, kcal/mol:	-31.15
Dipole, Da:	0.85
IP(EA), eV:	-8.99(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[4-(3-methylbutoxy)phenyl]methylamino]methyl]oxolan-3-ol

Drug info:

PubChemData

Smile

C1COCC1(CNCC2=NC(=CS2)C3=CC=CC=C3)O

DOS

IR

Vibrations