Geometry & MOs

Info

ID:	274079
PubChem CID:	103806902
Reduced:	BrION2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	246.148061
ΔH_f, kcal/mol:	-8.37
Dipole, Da:	3.31
IP(EA), eV:	-8.98(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-3-(methylamino)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(CNC)CNC(=O)C1=C(C=CC(=C1)Br)I

DOS

IR

Vibrations