Geometry & MOs

Info

ID:	131853
PubChem CID:	51269028
Reduced:	FO2N3C23H26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	393.185255
ΔH_f, kcal/mol:	-72.45
Dipole, Da:	2.47
IP(EA), eV:	-9.17(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-ethylphenyl)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC(C2=CC=CC=C2F)C3=NC=CN3C

DOS

IR

Vibrations