Geometry & MOs

Info

ID:	208395
PubChem CID:	80526831
Reduced:	BrSN3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	308.099477
ΔH_f, kcal/mol:	35.86
Dipole, Da:	2.67
IP(EA), eV:	-9.09(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluoro-4-nitrophenyl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Br)CNCC(C)(C)C2=CC=CS2)CC

DOS

IR

Vibrations