Geometry & MOs

Info

ID:	176543
PubChem CID:	76064682
Reduced:	O5N8C19H24 (1)
Stoich.:	A5B8C19D24 (1)
Weight, g/mol:	311.148121
ΔH_f, kcal/mol:	-113.29
Dipole, Da:	1.48
IP(EA), eV:	-9.04(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-amino-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]prop-2-enoate

Drug info:

PubChemData

Smile

COC1=NC(=NC=C1)N2CCC(C2)NC3=C4C(=NC=N3)N(C=N4)C5C(C(C(O5)CO)O)O

DOS

IR

Vibrations