Geometry & MOs

Info

ID:	170429
PubChem CID:	75231589
Reduced:	ON8C22H28 (1)
Stoich.:	AB8C22D28 (1)
Weight, g/mol:	359.149264
ΔH_f, kcal/mol:	20.19
Dipole, Da:	3.78
IP(EA), eV:	-9.17(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2,2-dimethylpropanoyloxy)-2-(5-fluoro-2,4-dioxo-1,3-diazinan-1-yl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=N2)N3CCC(C3)NC(=O)C)C(C)NC4=NC(=NC(=N4)N)C

DOS

IR

Vibrations