Geometry & MOs

Info

ID:

382709

PubChem CID:

134974026

Reduced:

NC14H21 (1)

Stoich.:

AB14C21 (1)

Weight, g/mol:

493.257671

ΔHf, kcal/mol:

-0.38

Dipole, Da:

1.92

IP(EA), eV:

-8.55(0.51)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1R,2S,12S,15S)-1,2-dihydroxy-7-methoxy-12-[(E)-3-methylbut-1-enyl]-10-(3-methylbut-2-enyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione

Drug info:

PubChemData

Smile

CN1CCCC[C@H]1CCC2=CC=CC=C2

DOS

IR

Vibrations