Geometry & MOs

Info

ID:	139171
PubChem CID:	52485048
Reduced:	ClO2F3N5C21H23 (1)
Stoich.:	AB2C3D5E21F23 (1)
Weight, g/mol:	425.206304
ΔH_f, kcal/mol:	-185.76
Dipole, Da:	6.99
IP(EA), eV:	-8.43(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-methylanilino)acetyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzohydrazide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NCC(=O)NNC(=O)C2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)Cl

DOS

IR

Vibrations