Geometry & MOs

Info

ID:	280131
PubChem CID:	103847095
Reduced:	ON6C11H16 (1)
Stoich.:	AB6C11D16 (1)
Weight, g/mol:	271.106925
ΔH_f, kcal/mol:	27.91
Dipole, Da:	2.27
IP(EA), eV:	-9.08(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methylpyrazol-1-yl)ethylamino]-2-nitrobenzonitrile

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CCNC2=CC(=NC(=N2)N)OC

DOS

IR

Vibrations