Geometry & MOs

Info

ID:	69614
PubChem CID:	47205029
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	279.077454
ΔH_f, kcal/mol:	-60.54
Dipole, Da:	6.36
IP(EA), eV:	-9.01(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenoxy)-N-(1H-pyrazol-5-ylmethyl)propanamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)CC(=O)NCC3=CC=NN3

DOS

IR

Vibrations