Geometry & MOs

Info

ID:	203108
PubChem CID:	79779383
Reduced:	BrON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	283.04326
ΔH_f, kcal/mol:	31.59
Dipole, Da:	4.93
IP(EA), eV:	-8.41(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-2,5-dimethylpyrazol-3-yl)methyl]-1-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NCCOC2=CC=C(C=C2)Br

DOS

IR

Vibrations