Geometry & MOs

Info

ID:	46515
PubChem CID:	10524899
Reduced:	N2O7H18C20 (1)
Stoich.:	A2B7C18D20 (1)
Weight, g/mol:	398.136553
ΔH_f, kcal/mol:	-147.48
Dipole, Da:	10.23
IP(EA), eV:	-9.34(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-oxo-4-phenyl-3,4-dihydrochromene-3-carboxylate

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C=C1C(C3=C(C=C(C=C3)C(=O)OC)OC)O

DOS

IR

Vibrations