Geometry & MOs

Info

ID:	311113
PubChem CID:	126589445
Reduced:	NF3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	240.111007
ΔH_f, kcal/mol:	-232.84
Dipole, Da:	5.08
IP(EA), eV:	-8.69(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dioxopyrrol-1-yl)-N-(4-hydroxybutan-2-yl)propanamide

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=C(C=C2)C(F)(F)F)N(C(=O)CC)O)C

DOS

IR

Vibrations