Geometry & MOs

Info

ID:	357121
PubChem CID:	127293347
Reduced:	N4O4C13H14 (1)
Stoich.:	A4B4C13D14 (1)
Weight, g/mol:	382.16166
ΔH_f, kcal/mol:	-135.84
Dipole, Da:	3.91
IP(EA), eV:	-9.99(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-dimethyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazol-4-yl]-N-methyl-N-(oxolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CN(C1CCOC1)C(=O)C2=CC3=C(NC(=O)NC3=O)N=C2

DOS

IR

Vibrations