Geometry & MOs

Info

ID:	65251
PubChem CID:	29204669
Reduced:	Cl2N3O4C23H27 (1)
Stoich.:	A2B3C4D23E27 (1)
Weight, g/mol:	494.067924
ΔH_f, kcal/mol:	-148.54
Dipole, Da:	4.26
IP(EA), eV:	-8.86(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-chloro-N'-[4-(2,4-dichlorophenoxy)butanoyl]-3-methylpyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NNC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl)NC(=O)CC2=CC=CC=C2

DOS

IR

Vibrations