Geometry & MOs

Info

ID:

182997

PubChem CID:

76968215

Reduced:

NO3C23H31 (2)

Stoich.:

AB3C23D31 (2)

Weight, g/mol:

372.302831

ΔHf, kcal/mol:

-212.18

Dipole, Da:

6.97

IP(EA), eV:

 -8.98(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6aR,9R,10aR)-6,6,9-trimethyl-3-[(2R,3S)-3-methyloctan-2-yl]-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol

Drug info:

PubChemData

Smile

CCC(C)(C)NC[C@H](COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O.CCC(C)(C)NC[C@@H](COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O

DOS

IR

Vibrations