Geometry & MOs

Info

ID:	172207
PubChem CID:	75479679
Reduced:	FN2O2C18H19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	301.049668
ΔH_f, kcal/mol:	-83.16
Dipole, Da:	2.41
IP(EA), eV:	-8.78(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)CN2CC3=CC=CC=C3C[C@H]2C(=O)N

DOS

IR

Vibrations