Geometry & MOs

Info

ID:	371338
PubChem CID:	127345752
Reduced:	ClN2O3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	317.153955
ΔH_f, kcal/mol:	-141.31
Dipole, Da:	6.3
IP(EA), eV:	-9.25(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(oxolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C2=C(C=C(C=C2)NC(=O)CC3CCOC3)Cl

DOS

IR

Vibrations