Geometry & MOs

Info

ID:	69616
PubChem CID:	47205032
Reduced:	FO2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	270.111676
ΔH_f, kcal/mol:	-71.41
Dipole, Da:	4.76
IP(EA), eV:	-9.39(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanophenoxy)-N-(1H-pyrazol-5-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=NN1)OC2=CC=C(C=C2)F

DOS

IR

Vibrations