Geometry & MOs

Info

ID:	371319
PubChem CID:	127345682
Reduced:	NSO4C16H21 (1)
Stoich.:	ABC4D16E21 (1)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	-160.81
Dipole, Da:	8.29
IP(EA), eV:	-9.32(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC2=C(C=C1)N(CCC2)C(=O)CC3CCOC3

DOS

IR

Vibrations