Geometry & MOs

Info

ID:

324532

PubChem CID:

126677846

Reduced:

ON2H22C36 (1)

Stoich.:

AB2C22D36 (1)

Weight, g/mol:

654.241962

ΔHf, kcal/mol:

144.84

Dipole, Da:

3.01

IP(EA), eV:

 -7.98(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)-15-phenyl-10-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.04,9.017,25.018,23]heptacosa-1(16),2(14),3(11),4,6,8,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=C2C5=C(C=C4)C6=CC=CC=C6N5C7=CC=CC=C7)C8=C(C=C3)C9=CC=CC=C9O8

DOS

IR

Vibrations