Geometry & MOs

Info

ID:	131852
PubChem CID:	51269008
Reduced:	FOCl2N4H13C17 (1)
Stoich.:	ABC2D4E13F17 (1)
Weight, g/mol:	395.200905
ΔH_f, kcal/mol:	-7.19
Dipole, Da:	4.48
IP(EA), eV:	-9.47(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC=CC=C2F)NC(=O)C3=CC(=C(N=C3)Cl)Cl

DOS

IR

Vibrations