Geometry & MOs

Info

ID:	191060
PubChem CID:	78100262
Reduced:	NOH17C21 (1)
Stoich.:	ABC17D21 (1)
Weight, g/mol:	372.178418
ΔH_f, kcal/mol:	51.22
Dipole, Da:	2.64
IP(EA), eV:	-8.07(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethoxy-2,3-dimethyl-5-oxo-8-propoxy-8,8a-dihydro-4aH-1,4-benzodioxin-6-yl)methyl acetate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C=C2C3=CC=CC=C3C4=C2C=C(C=C4)N

DOS

IR

Vibrations