Geometry & MOs

Info

ID:	36835
PubChem CID:	8013523
Reduced:	N2F3O6H13C17 (1)
Stoich.:	A2B3C6D13E17 (1)
Weight, g/mol:	417.142367
ΔH_f, kcal/mol:	-290.23
Dipole, Da:	4.9
IP(EA), eV:	-9.42(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 3,4,5-trimethoxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations