Geometry & MOs

Info

ID:	257733
PubChem CID:	103148414
Reduced:	ClNOSF3C10H13 (1)
Stoich.:	ABCDE3F10G13 (1)
Weight, g/mol:	327.132524
ΔH_f, kcal/mol:	-186.11
Dipole, Da:	3.25
IP(EA), eV:	-9.31(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-5-ethyl-2-methylpyrazol-3-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine

Drug info:

PubChemData

Smile

CNC(CCOCC(F)(F)F)C1=CC=C(S1)Cl

DOS

IR

Vibrations