Geometry & MOs

Info

ID:	212717
PubChem CID:	81061603
Reduced:	SN2O4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	303.09462
ΔH_f, kcal/mol:	-148.83
Dipole, Da:	2.23
IP(EA), eV:	-9.31(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-2,5-dimethylpyrazol-3-yl)methyl]-N-methyl-2-propan-2-yloxyethanamine

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)C1=C(C=CC(=C1)S(=O)(=O)N)C

DOS

IR

Vibrations