Geometry & MOs

Info

ID:	398595
PubChem CID:	135034159
Reduced:	NCl3H18C22 (1)
Stoich.:	AB3C18D22 (1)
Weight, g/mol:	372.23006
ΔH_f, kcal/mol:	50.36
Dipole, Da:	2.09
IP(EA), eV:	-9.14(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(Z)-6-(2,2-dimethyl-6,7-dihydro-4H-1,3-benzodioxin-8-yl)-3-methylhex-3-enyl]-5-methyl-3,4-dihydropyran-2-one

Drug info:

PubChemData

Smile

C1CN(C(C2=CC=CC=C21)C3=CC(=C(C(=C3)Cl)Cl)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations