Geometry & MOs

Info

ID:	69631
PubChem CID:	47205054
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	265.061804
ΔH_f, kcal/mol:	5.57
Dipole, Da:	5.33
IP(EA), eV:	-9.12(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenoxy)-N-(1H-pyrazol-5-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CSCC(=O)NCC2=CC=NN2

DOS

IR

Vibrations