Geometry & MOs

Info

ID:	254666
PubChem CID:	103126837
Reduced:	BrSN4C13H13 (1)
Stoich.:	ABC4D13E13 (1)
Weight, g/mol:	320.99353
ΔH_f, kcal/mol:	108.43
Dipole, Da:	3.41
IP(EA), eV:	-9.03(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine

Drug info:

PubChemData

Smile

CNC(CC1=CC(=CS1)Br)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations