Geometry & MOs

Info

ID:

44394

PubChem CID:

10503359

Reduced:

OH13C16 (2)

Stoich.:

AB13C16 (2)

Weight, g/mol:

442.225643

ΔHf, kcal/mol:

107.26

Dipole, Da:

2.76

IP(EA), eV:

 -9.25(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,13R,21R)-22-(cyclopropylmethyl)-2-ethoxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-16-ol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C#CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3C)O)(C4=CC=CC=C4)O

DOS

IR

Vibrations