Geometry & MOs

Info

ID:	155902
PubChem CID:	56368227
Reduced:	O2N5H21C26 (1)
Stoich.:	A2B5C21D26 (1)
Weight, g/mol:	441.97145
ΔH_f, kcal/mol:	63.85
Dipole, Da:	3.53
IP(EA), eV:	-8.82(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-1-ethylpyrrol-2-yl)-[2-(4-bromophenyl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN(C(=C2)NC(=O)C3=NNC(=O)C4=CC=CC=C43)CC5=CC=CC=C5

DOS

IR

Vibrations