Geometry & MOs

Info

ID:	394831
PubChem CID:	135023894
Reduced:	NO3C10H11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	424.131074
ΔH_f, kcal/mol:	-69.57
Dipole, Da:	5.69
IP(EA), eV:	-8.57(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(15-methyl-16,18-dioxo-17-oxapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl)methyl benzoate

Drug info:

PubChemData

Smile

COC(=O)[C@@H]1COC(=C2C=CC=C2)N1

DOS

IR

Vibrations