Geometry & MOs

Info

ID:	121943
PubChem CID:	50787136
Reduced:	F2O2N7H13C20 (1)
Stoich.:	A2B2C7D13E20 (1)
Weight, g/mol:	439.247107
ΔH_f, kcal/mol:	33.88
Dipole, Da:	5.64
IP(EA), eV:	-9.98(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,4-dimethyl-5-[4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carbonyl]-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C3=C(C(=O)N(C=N3)CC4=NC(=NO4)C5=CC=C(C=C5)F)N=N2)F

DOS

IR

Vibrations