Geometry & MOs

Info

ID:	198080
PubChem CID:	79044689
Reduced:	ClF2N2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	290.154289
ΔH_f, kcal/mol:	-48.4
Dipole, Da:	4.98
IP(EA), eV:	-9.25(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluoro-5-methylanilino)-2-(3-propylimidazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)N2C3=C(C=C(C=C3)F)N=C2C(C)Cl

DOS

IR

Vibrations