Geometry & MOs

Info

ID:	70758
PubChem CID:	48413829
Reduced:	O3N5C16H17 (1)
Stoich.:	A3B5C16D17 (1)
Weight, g/mol:	405.141259
ΔH_f, kcal/mol:	-3.16
Dipole, Da:	4.65
IP(EA), eV:	-9.25(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxoacetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC=C(C=C2)OCC3=NOC(=N3)C

DOS

IR

Vibrations