Geometry & MOs

Info

ID:	222601
PubChem CID:	85305599
Reduced:	N2O7C18H22 (1)
Stoich.:	A2B7C18D22 (1)
Weight, g/mol:	378.146724
ΔH_f, kcal/mol:	-107.03
Dipole, Da:	8.03
IP(EA), eV:	-9.37(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-benzoyloxy-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl)methyl benzoate

Drug info:

PubChemData

Smile

CC(=CCCC(=CCOC(=O)COC1=CC(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C)C

DOS

IR

Vibrations