Geometry & MOs

Info

ID:

328348

PubChem CID:

126700772

Reduced:

O4N6H22C25 (1)

Stoich.:

A4B6C22D25 (1)

Weight, g/mol:

808.527805

ΔHf, kcal/mol:

10.11

Dipole, Da:

4.04

IP(EA), eV:

 -8.37(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[3,3-bis(hydroxymethyl)pentoxy]-5-[2-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-3-[3-(2-methylprop-2-enoyloxy)propyl]phenyl]propyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

C1CN2C3=C(C=C(C=C3OC1)C4=CN(N=C4)C(C5CC5)C(=O)O)N=C2C6=CC7=C(C=C6)OC(=N7)N

DOS

IR

Vibrations