Geometry & MOs

Info

ID:	343866
PubChem CID:	127267042
Reduced:	OSN5C17H19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	300.149873
ΔH_f, kcal/mol:	52.64
Dipole, Da:	7.59
IP(EA), eV:	-8.37(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[(2-propan-2-ylpyrazol-3-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)aniline

Drug info:

PubChemData

Smile

CC(CN(C)C1=NC=NC2=C1SN=C2C3=CC=CC=C3)C(=O)NC

DOS

IR

Vibrations