Geometry & MOs

Info

ID:	207367
PubChem CID:	80388214
Reduced:	NF2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	309.136277
ΔH_f, kcal/mol:	-127.93
Dipole, Da:	3.91
IP(EA), eV:	-8.57(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,4-difluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C(CC2=C(C=C(C=C2)F)F)N

DOS

IR

Vibrations