Geometry & MOs

Info

ID:	179049
PubChem CID:	76427082
Reduced:	OSN3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	287.08254
ΔH_f, kcal/mol:	68.78
Dipole, Da:	2.63
IP(EA), eV:	-8.75(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-6-yl)amino]-2-phenylethanol

Drug info:

PubChemData

Smile

CSCC1=NOC(=N1)CN2CC3C4CCC(C3C2)CC4

DOS

IR

Vibrations