Geometry & MOs

Info

ID:	35948
PubChem CID:	7980531
Reduced:	FO2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	406.116486
ΔH_f, kcal/mol:	-99.58
Dipole, Da:	6.33
IP(EA), eV:	-8.67(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinyl]-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations