Geometry & MOs

Info

ID:

397699

PubChem CID:

135030590

Reduced:

NOC22H22 (2)

Stoich.:

ABC22D22 (2)

Weight, g/mol:

630.324629

ΔHf, kcal/mol:

155.26

Dipole, Da:

1.63

IP(EA), eV:

 -8.66(0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,15R)-3,16-dibenzyl-4,15-diphenyl-6,13-dioxa-3,16-diazabicyclo[16.3.1]docosa-1(22),18,20-trien-8,10-diyne

Drug info:

PubChemData

Smile

C#CCOC[C@@H](C1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC(=CC=C3)CN(CC4=CC=CC=C4)[C@@H](COCC#C)C5=CC=CC=C5

DOS

IR

Vibrations