Geometry & MOs

Info

ID:	193596
PubChem CID:	78411960
Reduced:	PN2O5C7H11 (1)
Stoich.:	AB2C5D7E11 (1)
Weight, g/mol:	360.193674
ΔH_f, kcal/mol:	-261.93
Dipole, Da:	3.27
IP(EA), eV:	-10.04(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3,5-dimethylhepta-1,3-dienyl)-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1H-isochromen-8-yl] acetate

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C=CP(=O)(O)O

DOS

IR

Vibrations