Geometry & MOs

Info

ID:	287678
PubChem CID:	104251627
Reduced:	OSN2C12H20 (1)
Stoich.:	ABC2D12E20 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	-42.93
Dipole, Da:	1.88
IP(EA), eV:	-9.16(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxy-2,5-dimethylphenyl)-2-(oxan-2-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CC(CC2CCCCO2)N

DOS

IR

Vibrations