Geometry & MOs

Info

ID:	151633
PubChem CID:	56242091
Reduced:	O2S2N3H13C18 (1)
Stoich.:	A2B2C3D13E18 (1)
Weight, g/mol:	424.163472
ΔH_f, kcal/mol:	50.57
Dipole, Da:	5.09
IP(EA), eV:	-8.75(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=CO4

DOS

IR

Vibrations