Geometry & MOs

Info

ID:

404736

PubChem CID:

135070115

Reduced:

OC20H30 (2)

Stoich.:

AB20C30 (2)

Weight, g/mol:

416.251544

ΔHf, kcal/mol:

-66.01

Dipole, Da:

1.54

IP(EA), eV:

-8.36(0.23)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(S)-[(1S)-3-(4,5-dimethyl-2-methylidenehex-4-enyl)-4-(4-fluorophenyl)-6-methylidenecyclohex-3-en-1-yl]-phenylmethanol

Drug info:

PubChemData

Smile

C/C(=C\C=C/C(=C\C=C\C(=C\C=C\C=C(\C)/C=C\C=C(\C)/C=C\C=C(/C)\CCCC(C)(C)O)\C)/C)/CCCC(C)(C)O

DOS

IR

Vibrations