Geometry & MOs

Info

ID:	277007
PubChem CID:	103826220
Reduced:	BrON5H12C14 (1)
Stoich.:	ABC5D12E14 (1)
Weight, g/mol:	281.164046
ΔH_f, kcal/mol:	86.17
Dipole, Da:	3.52
IP(EA), eV:	-8.96(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-propylpyrazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NCC2=C(C=CC(=C2)Br)O)C3=NNN=N3

DOS

IR

Vibrations