Geometry & MOs

Info

ID:	201374
PubChem CID:	79529724
Reduced:	FO2N5C10H10 (1)
Stoich.:	AB2C5D10E10 (1)
Weight, g/mol:	206.080376
ΔH_f, kcal/mol:	6.16
Dipole, Da:	2.63
IP(EA), eV:	-9.38(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-amino-1H-pyrazol-4-yl)methyl]-3-methylpyrrole-2,5-dione

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)NCC2=C(NN=C2)N)[N+](=O)[O-]

DOS

IR

Vibrations