Geometry & MOs

Info

ID:	167588
PubChem CID:	74846880
Reduced:	ClO3N4H17C21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	436.130218
ΔH_f, kcal/mol:	-31.12
Dipole, Da:	5.58
IP(EA), eV:	-9.1(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-5-[[2-(3-chlorophenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]methylidene]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C=C3C(=O)N(C(=O)N3)CC4=CC=CC=C4

DOS

IR

Vibrations