Geometry & MOs

Info

ID:	276481
PubChem CID:	103823728
Reduced:	BrS2N3O4C10H14 (1)
Stoich.:	AB2C3D4E10F14 (1)
Weight, g/mol:	274.179361
ΔH_f, kcal/mol:	-144.26
Dipole, Da:	5.37
IP(EA), eV:	-9.69(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CS(=O)(=O)CCN1S(=O)(=O)C2=C(N=CC(=C2)Br)N

DOS

IR

Vibrations