Geometry & MOs

Info

ID:

441222

PubChem CID:

135233716

Reduced:

NO2C19H37 (1)

Stoich.:

AB2C19D37 (1)

Weight, g/mol:

703.298748

ΔHf, kcal/mol:

-153.08

Dipole, Da:

4.76

IP(EA), eV:

 -9.73(1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-(4-ethyl-3-phenyl-5H-1-benzazepin-2-yl)-12,20-diphenyl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene

Drug info:

PubChemData

Smile

CCCCCCC(C/C=C\CCCCCCCC(=O)NC)O

DOS

IR

Vibrations