Geometry & MOs

Info

ID:

426265

PubChem CID:

135143051

Reduced:

O5C9H12 (1)

Stoich.:

A5B9C12 (1)

Weight, g/mol:

837.383147

ΔHf, kcal/mol:

-203.18

Dipole, Da:

5.17

IP(EA), eV:

-10.14(-0.41)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

15-[3-[5-[3-[4-(7,8-dihydronaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,17,19-nonaene

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCC1=COC(=O)O1

DOS

IR

Vibrations