Geometry & MOs

Info

ID:	171821
PubChem CID:	75430082
Reduced:	ON2F3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	305.092201
ΔH_f, kcal/mol:	-199.08
Dipole, Da:	3.81
IP(EA), eV:	-9.68(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1,2,4-thiadiazol-5-amine

Drug info:

PubChemData

Smile

C1CN(CCC1N)C(=O)CC(C2=CC=CC=C2)C(F)(F)F

DOS

IR

Vibrations