Geometry & MOs

Info

ID:	35937
PubChem CID:	7980520
Reduced:	FNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	404.173607
ΔH_f, kcal/mol:	-100.81
Dipole, Da:	4.71
IP(EA), eV:	-8.95(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)F)C

DOS

IR

Vibrations