Geometry & MOs

Info

ID:	70947
PubChem CID:	48414083
Reduced:	N3O3C17H23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	321.124405
ΔH_f, kcal/mol:	-80.32
Dipole, Da:	5.57
IP(EA), eV:	-8.61(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-3-methylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C(=O)NCC2=C(NN=C2)C)OC

DOS

IR

Vibrations