Geometry & MOs

Info

ID:	69622
PubChem CID:	47205039
Reduced:	OSN3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	15.73
Dipole, Da:	6.04
IP(EA), eV:	-9.56(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenoxy-N-(1H-pyrazol-5-ylmethyl)butanamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)NCC2=CC=NN2

DOS

IR

Vibrations