Geometry & MOs

Info

ID:	69618
PubChem CID:	47205034
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	313.038482
ΔH_f, kcal/mol:	-59.27
Dipole, Da:	5.7
IP(EA), eV:	-8.72(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(=O)NCC2=CC=NN2)OC

DOS

IR

Vibrations