Geometry & MOs

Info

ID:	32786
PubChem CID:	7848398
Reduced:	N2F3O4C16H19 (1)
Stoich.:	A2B3C4D16E19 (1)
Weight, g/mol:	322.152872
ΔH_f, kcal/mol:	-309.23
Dipole, Da:	6.85
IP(EA), eV:	-9.28(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 4-methylpentanoate

Drug info:

PubChemData

Smile

CC(C)CCC(=O)OCC(=O)NCC(=O)NC1=C(C(=C(C=C1)F)F)F

DOS

IR

Vibrations