Geometry & MOs

Info

ID:	221592
PubChem CID:	85281231
Reduced:	N2O3C16H16 (1)
Stoich.:	A2B3C16D16 (1)
Weight, g/mol:	523.98683
ΔH_f, kcal/mol:	-63.92
Dipole, Da:	3.42
IP(EA), eV:	-8.53(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(3-bromo-4-methoxyphenyl)-2-(1-bromopentyl)-1,3-dioxolane-4,5-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C=CC(C(CO)O)O

DOS

IR

Vibrations