Geometry & MOs

Info

ID:	276108
PubChem CID:	103820624
Reduced:	FN2O4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	283.153206
ΔH_f, kcal/mol:	-138.58
Dipole, Da:	5.97
IP(EA), eV:	-10.15(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-hydroxyethyl)pentyl]-1-methyl-4-nitropyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(CCO)CNC(=O)C1=C(C=CC(=C1)F)[N+](=O)[O-]

DOS

IR

Vibrations