Geometry & MOs

Info

ID:	261885
PubChem CID:	103256842
Reduced:	N3O3C9H11 (1)
Stoich.:	A3B3C9D11 (1)
Weight, g/mol:	295.04192
ΔH_f, kcal/mol:	-59.41
Dipole, Da:	4.87
IP(EA), eV:	-9.68(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-3-[(4-hydroxyoxan-4-yl)methylamino]propanoate

Drug info:

PubChemData

Smile

C1C(CO1)NCC2=NC=NC=C2C(=O)O

DOS

IR

Vibrations