Geometry & MOs

Info

ID:	275887
PubChem CID:	103818744
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	286.134223
ΔH_f, kcal/mol:	-52.0
Dipole, Da:	3.75
IP(EA), eV:	-8.32(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethylpyrazol-4-yl)methyl]-3-fluoro-4-(1,2,4-triazol-1-yl)aniline

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)CC1=CC=CC=C1NCC2=CN=CS2

DOS

IR

Vibrations