Geometry & MOs

Info

ID:	449759
PubChem CID:	135301230
Reduced:	BrSF3N4H14C16 (1)
Stoich.:	ABC3D4E14F16 (1)
Weight, g/mol:	185.141579
ΔH_f, kcal/mol:	-82.51
Dipole, Da:	7.86
IP(EA), eV:	-8.74(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2Z)-1-methoxypenta-2,4-dien-2-yl]oxy-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CCSC1=C(N=C(C=C1)Br)C2=NC3=CC(=NC(=C3N2C)C)C(F)(F)F

DOS

IR

Vibrations