Geometry & MOs

Info

ID:	197674
PubChem CID:	78987110
Reduced:	FN4O4H7C10 (1)
Stoich.:	AB4C4D7E10 (1)
Weight, g/mol:	271.106925
ΔH_f, kcal/mol:	-39.12
Dipole, Da:	1.44
IP(EA), eV:	-10.66(-2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-3-nitrobenzonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=NN(C=N1)C2=C(C=C(C=C2)[N+](=O)[O-])F

DOS

IR

Vibrations