Geometry & MOs

Info

ID:	145094
PubChem CID:	53460697
Reduced:	ClN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	478.330777
ΔH_f, kcal/mol:	-99.53
Dipole, Da:	7.04
IP(EA), eV:	-9.46(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-tert-butylphenyl)methylideneamino]-5-(4-octoxyphenyl)pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C2CC(NN2)C(=O)O)Cl

DOS

IR

Vibrations