Geometry & MOs

Info

ID:	204364
PubChem CID:	79954250
Reduced:	NF3C10H20 (1)
Stoich.:	AB3C10D20 (1)
Weight, g/mol:	311.155515
ΔH_f, kcal/mol:	-205.73
Dipole, Da:	4.03
IP(EA), eV:	-9.22(1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-N-(3,4,5-trimethoxyphenyl)thian-3-amine

Drug info:

PubChemData

Smile

CCCCCC(CCC(F)(F)F)NC

DOS

IR

Vibrations