Geometry & MOs

Info

ID:	193508
PubChem CID:	78402176
Reduced:	N5O5C22H23 (1)
Stoich.:	A5B5C22D23 (1)
Weight, g/mol:	498.299476
ΔH_f, kcal/mol:	-45.82
Dipole, Da:	6.75
IP(EA), eV:	-8.65(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-(4-phenylphenyl)pyrazolidine-3-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C2=C(N=C3NNNN3C2C4=C(C=CC(=C4)OC)OC)C(=O)OC

DOS

IR

Vibrations