Geometry & MOs

Info

ID:	198483
PubChem CID:	79107468
Reduced:	FN2O3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-44.19
Dipole, Da:	7.27
IP(EA), eV:	-9.42(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-2-yl]ethanol

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C=C1)CC2=C(C=CC(=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations