Geometry & MOs

Info

ID:	145914
PubChem CID:	53611787
Reduced:	ON7C17H25 (1)
Stoich.:	AB7C17D25 (1)
Weight, g/mol:	331.13322
ΔH_f, kcal/mol:	43.32
Dipole, Da:	4.87
IP(EA), eV:	-9.41(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-2-[3-[(2-hydroxyacetyl)amino]anilino]propanamide

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC2CCCN(C2)CCC(=O)N(CC#N)CC#N

DOS

IR

Vibrations