Geometry & MOs

Info

ID:	246089
PubChem CID:	103043393
Reduced:	ClFNC18H27 (1)
Stoich.:	ABCD18E27 (1)
Weight, g/mol:	285.050275
ΔH_f, kcal/mol:	-79.12
Dipole, Da:	2.41
IP(EA), eV:	-8.86(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

CCNC(CCC1CCCCC1)CC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations