Geometry & MOs

Info

ID:	70853
PubChem CID:	48413954
Reduced:	FSO3N4C16H21 (1)
Stoich.:	ABC3D4E16F21 (1)
Weight, g/mol:	324.169859
ΔH_f, kcal/mol:	-119.57
Dipole, Da:	5.51
IP(EA), eV:	-9.51(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethylphenyl)-5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations