Geometry & MOs

Info

ID:

441410

PubChem CID:

135234552

Reduced:

N2O3C16H18 (1)

Stoich.:

A2B3C16D18 (1)

Weight, g/mol:

475.23

ΔHf, kcal/mol:

-87.96

Dipole, Da:

5.35

IP(EA), eV:

 -8.9(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-ethenyl-4,4-dimethyl-24-phenyl-6-[(Z)-prop-1-enyl]-24-azahexacyclo[15.7.0.02,10.03,7.011,16.018,23]tetracosa-1(17),2(10),3(7),5,8,11,13,15,18,20,22-undecaene

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC(C)C)C2=C(N=CN=C2C(=O)O)C

DOS

IR

Vibrations