Geometry & MOs

Info

ID:	211891
PubChem CID:	81058749
Reduced:	BrON2C11H17 (1)
Stoich.:	ABC2D11E17 (1)
Weight, g/mol:	256.189926
ΔH_f, kcal/mol:	-26.02
Dipole, Da:	2.35
IP(EA), eV:	-8.57(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-aminopyrazol-1-yl)-3-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol

Drug info:

PubChemData

Smile

CCOCCN(C)C1=C(C=C(C=C1)N)Br

DOS

IR

Vibrations