Geometry & MOs

Info

ID:	155935
PubChem CID:	56368375
Reduced:	F2O4N5C18H21 (1)
Stoich.:	A2B4C5D18E21 (1)
Weight, g/mol:	439.06622
ΔH_f, kcal/mol:	-196.82
Dipole, Da:	2.34
IP(EA), eV:	-9.56(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)NCC(=O)N2CCC(CC2)N3C=NC=N3)OC(F)F

DOS

IR

Vibrations