Geometry & MOs

Info

ID:	145120
PubChem CID:	53466461
Reduced:	FN4O6C27H27 (1)
Stoich.:	AB4C6D27E27 (1)
Weight, g/mol:	410.143764
ΔH_f, kcal/mol:	-187.88
Dipole, Da:	5.23
IP(EA), eV:	-8.77(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[5-[(2-methoxy-2-oxoethyl)amino]-2,4-dinitrophenyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

COC1=C(N=CC=C1)COC2=CC=C(C=C2)C3=NN(C=C3C4=CC=NC=C4)CCF.C(CC(=O)O)C(=O)O

DOS

IR

Vibrations