Geometry & MOs

Info

ID:

188411

PubChem CID:

77713242

Reduced:

ON5C22H29 (1)

Stoich.:

AB5C22D29 (1)

Weight, g/mol:

673.455368

ΔHf, kcal/mol:

13.43

Dipole, Da:

3.57

IP(EA), eV:

 -8.73(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

acetamide;[8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate;2-[1-(oxan-2-yl)ethenyl]oxane

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)N(C2CCCC3C2C(NN3)N)C4=CC=CC=C4

DOS

IR

Vibrations