Geometry & MOs

Info

ID:	156228
PubChem CID:	56369726
Reduced:	BrO2N3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	341.11028
ΔH_f, kcal/mol:	-32.53
Dipole, Da:	4.09
IP(EA), eV:	-8.98(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[2-(3-methylpiperidin-1-yl)ethyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)N(C)CC2=CC=CC=C2N3CCOCC3)Br

DOS

IR

Vibrations