Geometry & MOs

Info

ID:	285139
PubChem CID:	104098317
Reduced:	N3C13H21 (1)
Stoich.:	A3B13C21 (1)
Weight, g/mol:	218.052527
ΔH_f, kcal/mol:	33.22
Dipole, Da:	1.77
IP(EA), eV:	-8.97(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[(5-nitrothiophen-2-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C)CN1C=C(C=N1)CNC2CC=CC2

DOS

IR

Vibrations