Geometry & MOs

Info

ID:

324535

PubChem CID:

126677851

Reduced:

ON2H22C36 (1)

Stoich.:

AB2C22D36 (1)

Weight, g/mol:

656.257612

ΔHf, kcal/mol:

141.47

Dipole, Da:

1.56

IP(EA), eV:

 -7.97(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-15-phenyl-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5=C(C=C42)N(C6=C5C=CC7=C6OC8=CC=CC=C78)C9=CC=CC=C9

DOS

IR

Vibrations