Geometry & MOs

Info

ID:	131686
PubChem CID:	51244606
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	343.169605
ΔH_f, kcal/mol:	-82.24
Dipole, Da:	6.43
IP(EA), eV:	-8.16(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[1-(3-fluoroanilino)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)OC)N(C)CC2=CC=C(C=C2)C(=O)NC

DOS

IR

Vibrations