Geometry & MOs

Info

ID:	122413
PubChem CID:	50805438
Reduced:	BrN2O3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	462.28422
ΔH_f, kcal/mol:	-59.81
Dipole, Da:	3.37
IP(EA), eV:	-9.78(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3,5-dimethyl-4-[3-[3-(2-morpholin-4-ylethylcarbamoyl)piperidin-1-yl]-3-oxopropyl]-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOCCCNC(=O)C1=C(ON=C1C2=CC=C(C=C2)Br)C

DOS

IR

Vibrations