Geometry & MOs

Info

ID:	271419
PubChem CID:	103675685
Reduced:	BrNO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	-22.69
Dipole, Da:	1.48
IP(EA), eV:	-8.1(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-1-[(1-phenylpyrazol-4-yl)methylamino]pentan-2-ol

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NCC2=C(C=CO2)Br

DOS

IR

Vibrations