Geometry & MOs

Info

ID:	131874
PubChem CID:	51273359
Reduced:	ON3F4H17C20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	395.175753
ΔH_f, kcal/mol:	-179.43
Dipole, Da:	3.6
IP(EA), eV:	-9.32(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzylcarbamoylamino)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC=CC=C2F)NC(=O)CC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations