Geometry & MOs

Info

ID:	298095
PubChem CID:	117647504
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	368.158351
ΔH_f, kcal/mol:	-32.71
Dipole, Da:	1.96
IP(EA), eV:	-9.66(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3aR,4R,6S,6aR)-4-(2,4-dioxopyrimidin-1-yl)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-6-carboxylate

Drug info:

PubChemData

Smile

CCCC1=NC(=NC(=N1)C(=O)OCC2=CC=CC=C2)CCC

DOS

IR

Vibrations