Geometry & MOs

Info

ID:	254639
PubChem CID:	103126676
Reduced:	BrSN3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	363.04048
ΔH_f, kcal/mol:	85.27
Dipole, Da:	3.64
IP(EA), eV:	-8.62(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCNC(CC1=CC=C(S1)Br)C2=NN(C3=CC=CC=C32)C

DOS

IR

Vibrations