Geometry & MOs

Info

ID:	259708
PubChem CID:	103172458
Reduced:	BrClN2O2C14H14 (1)
Stoich.:	ABC2D2E14F14 (1)
Weight, g/mol:	248.127326
ΔH_f, kcal/mol:	-23.21
Dipole, Da:	7.17
IP(EA), eV:	-8.54(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dimethoxypyridin-2-yl)methyl]-1-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

COC1=C(C(=NC=C1)CNC2=C(C=CC(=C2)Br)Cl)OC

DOS

IR

Vibrations