Geometry & MOs

Info

ID:	68620
PubChem CID:	46508777
Reduced:	SO3N4H20C24 (1)
Stoich.:	AB3C4D20E24 (1)
Weight, g/mol:	436.189926
ΔH_f, kcal/mol:	-7.71
Dipole, Da:	6.04
IP(EA), eV:	-9.01(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(4-cyanophenoxy)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4SCC(=O)N

DOS

IR

Vibrations