Geometry & MOs

Info

ID:	137344
PubChem CID:	52193292
Reduced:	NO3C20H31 (1)
Stoich.:	AB3C20D31 (1)
Weight, g/mol:	318.07712
ΔH_f, kcal/mol:	56.58
Dipole, Da:	6.95
IP(EA), eV:	-8.66(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-hydroxybenzamide

Drug info:

PubChemData

Smile

C/C/1=C\[C@H]([C@@H]2[C@H](C/C(=C\CC1)/C)OC(=O)[C@@H]2CN3CCCCC3)O

DOS

IR

Vibrations