Geometry & MOs

Info

ID:	131849
PubChem CID:	51268854
Reduced:	BrFO2N3H13C16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	301.15904
ΔH_f, kcal/mol:	-30.09
Dipole, Da:	2.44
IP(EA), eV:	-9.32(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC(=CC=C2)F)NC(=O)C3=CC=C(O3)Br

DOS

IR

Vibrations