Geometry & MOs

Info

ID:	222579
PubChem CID:	85305559
Reduced:	ClNO5H16C19 (1)
Stoich.:	ABC5D16E19 (1)
Weight, g/mol:	374.194068
ΔH_f, kcal/mol:	-57.49
Dipole, Da:	5.62
IP(EA), eV:	-9.32(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-but-2-enoyloxy-5,6-dimethoxy-2-(methoxymethyl)oxan-3-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2C(C(=O)C3=CC=CC(=C3O2)CC=C)([N+](=O)[O-])Cl

DOS

IR

Vibrations