Geometry & MOs

Info

ID:

319429

PubChem CID:

126656001

Reduced:

OPSN3H26C40 (1)

Stoich.:

ABCD3E26F40 (1)

Weight, g/mol:

638.223549

ΔHf, kcal/mol:

141.37

Dipole, Da:

5.7

IP(EA), eV:

 -7.99(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16-[4-(4-diphenylphosphorylphenyl)-1,3,5-triazin-2-yl]-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CN=C(N=C4)C5=CC6=C(C=C5)N7C8=CC=CC=C8C9=C7C(=CC=C9)O6

DOS

IR

Vibrations