Geometry & MOs

Info

ID:	189993
PubChem CID:	77937181
Reduced:	N3O7C17H33 (1)
Stoich.:	A3B7C17D33 (1)
Weight, g/mol:	272.11207
ΔH_f, kcal/mol:	-324.35
Dipole, Da:	3.81
IP(EA), eV:	-9.31(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(4-amino-2-oxo-1,3,5-triazin-1-yl)methoxy]-4-hydroxybutan-2-yl] acetate

Drug info:

PubChemData

Smile

CCC(CO)NC1CC(C(C(C1OC2C(C(C(=CO)CO2)NC)O)O)O)N

DOS

IR

Vibrations