Geometry & MOs

Info

ID:	197214
PubChem CID:	78938520
Reduced:	FNOC18H20 (1)
Stoich.:	ABCD18E20 (1)
Weight, g/mol:	268.054945
ΔH_f, kcal/mol:	-56.62
Dipole, Da:	2.43
IP(EA), eV:	-8.27(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-chloro-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanamine

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC=C1F)N2CCCC3=CC=CC=C3C2)O

DOS

IR

Vibrations