Geometry & MOs

Info

ID:	178343
PubChem CID:	76313659
Reduced:	ClOS2F3N3H19C21 (1)
Stoich.:	ABC2D3E3F19G21 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	-125.28
Dipole, Da:	13.26
IP(EA), eV:	-7.97(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrrolo[2,3-b]pyridin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN1/C(=C/C2=CC=CC=[N+]2C)/S/C(=C/3\N(C4=C(S3)C=CC(=C4)C(F)(F)F)C)/C1=O.[Cl-]

DOS

IR

Vibrations