Geometry & MOs

Info

ID:	30570
PubChem CID:	841520
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	257.133969
ΔH_f, kcal/mol:	-131.46
Dipole, Da:	3.79
IP(EA), eV:	-9.55(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)[C@H]2CC=CC[C@@H]2C(=O)O

DOS

IR

Vibrations