Geometry & MOs

Info

ID:	131872
PubChem CID:	51272563
Reduced:	ClN4O4H15C18 (1)
Stoich.:	AB4C4D15E18 (1)
Weight, g/mol:	313.15904
ΔH_f, kcal/mol:	-2.55
Dipole, Da:	11.59
IP(EA), eV:	-9.02(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopent-2-en-1-yl-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations