Geometry & MOs

Info

ID:	198482
PubChem CID:	79107408
Reduced:	N4C9H10 (1)
Stoich.:	A4B9C10 (1)
Weight, g/mol:	262.07537
ΔH_f, kcal/mol:	87.58
Dipole, Da:	3.18
IP(EA), eV:	-8.97(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(5-fluoro-2-nitrophenyl)methyl]pyrrol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)NN2C=CC=C2

DOS

IR

Vibrations