Geometry & MOs

Info

ID:	284568
PubChem CID:	104053146
Reduced:	NOF3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	311.137757
ΔH_f, kcal/mol:	-215.47
Dipole, Da:	5.16
IP(EA), eV:	-8.62(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1,4-dithian-2-yl-(4-methoxy-2,5-dimethylphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(CCC(F)(F)F)C1=C(C=C(C(=C1)C)OC)C

DOS

IR

Vibrations