Geometry & MOs

Info

ID:	62354
PubChem CID:	26719609
Reduced:	F3O3N6H17C18 (1)
Stoich.:	A3B3C6D17E18 (1)
Weight, g/mol:	368.117235
ΔH_f, kcal/mol:	-119.54
Dipole, Da:	7.68
IP(EA), eV:	-9.78(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methyl-5-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCC2=C(N3C(=NC(=N3)C(F)(F)F)N=C2C)C

DOS

IR

Vibrations