Geometry & MOs

Info

ID:	82750
PubChem CID:	49856449
Reduced:	OSN5C16H17 (1)
Stoich.:	ABC5D16E17 (1)
Weight, g/mol:	216.137497
ΔH_f, kcal/mol:	39.67
Dipole, Da:	7.54
IP(EA), eV:	-9.01(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperidin-3-amine

Drug info:

PubChemData

Smile

C1CC(CNC1)C(=O)NC2=C3C(=NC=C2)N=C(N3)C4=CC=CS4

DOS

IR

Vibrations