Geometry & MOs

Info

ID:	371305
PubChem CID:	127345656
Reduced:	ClN2O3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	-123.75
Dipole, Da:	3.94
IP(EA), eV:	-8.8(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCC1CC(=O)NCC(C2=CC=CC=C2Cl)N3CCOCC3

DOS

IR

Vibrations