Geometry & MOs

Info

ID:	218101
PubChem CID:	85088882
Reduced:	BrON5C20H22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	430.126382
ΔH_f, kcal/mol:	86.08
Dipole, Da:	4.72
IP(EA), eV:	-8.86(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,5-dibenzoyloxy-4-hydroxy-6-methoxyoxane-2-carboxylate

Drug info:

PubChemData

Smile

CN(C)CC1=CC(=NC2=C3C(=NC=C2)C=C(C=N3)Br)C(=O)C(=C1)CN(C)C

DOS

IR

Vibrations