Geometry & MOs

Info

ID:	276479
PubChem CID:	103823718
Reduced:	BrS2N3O4C10H14 (1)
Stoich.:	AB2C3D4E10F14 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	-139.08
Dipole, Da:	5.34
IP(EA), eV:	-9.63(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methoxyethoxy)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)S(=O)(=O)C2=C(N=CC(=C2)Br)N

DOS

IR

Vibrations