Geometry & MOs

Info

ID:	181248
PubChem CID:	76721503
Reduced:	BrON4C19H27 (1)
Stoich.:	ABC4D19E27 (1)
Weight, g/mol:	404.12117
ΔH_f, kcal/mol:	-28.5
Dipole, Da:	5.49
IP(EA), eV:	-8.18(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-bromo-4-(3-propylpiperidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CCCC1CCCN(C1)C2=C3C(=CNC3=NC=C2Br)NC(=O)C(C)C

DOS

IR

Vibrations