Geometry & MOs

Info

ID:	129627
PubChem CID:	51073358
Reduced:	N3O4C15H15 (1)
Stoich.:	A3B4C15D15 (1)
Weight, g/mol:	332.104003
ΔH_f, kcal/mol:	-105.58
Dipole, Da:	4.46
IP(EA), eV:	-8.87(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-4-cyanophenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(C)NC(=O)C2=C(OC3=C2C(=O)NC=N3)C

DOS

IR

Vibrations