Geometry & MOs

Info

ID:	343068
PubChem CID:	127266241
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	346.117209
ΔH_f, kcal/mol:	-108.2
Dipole, Da:	3.86
IP(EA), eV:	-8.86(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-6-(trifluoromethyl)pyridin-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)C2(CCOCC2)NC(=O)COC3=CC4=C(CCCC4)C=C3

DOS

IR

Vibrations