Geometry & MOs

Info

ID:	164949
PubChem CID:	74476642
Reduced:	N2O2C13H15 (2)
Stoich.:	A2B2C13D15 (2)
Weight, g/mol:	445.107399
ΔH_f, kcal/mol:	-85.45
Dipole, Da:	5.93
IP(EA), eV:	-8.41(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

4-[3-[[1-(4-fluorophenyl)-4-oxido-2,6-dioxopyrimidin-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)N(CCN2CCCC2)CC3C=C4C=C5C(=CC4=NC3=O)OCCO5

DOS

IR

Vibrations