Geometry & MOs

Info

ID:

449274

PubChem CID:

135297314

Reduced:

N2H36C51 (1)

Stoich.:

A2B36C51 (1)

Weight, g/mol:

610.215747

ΔHf, kcal/mol:

209.74

Dipole, Da:

1.94

IP(EA), eV:

 -7.94(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(4-phenylquinazolin-2-yl)-5,21-diazaoctacyclo[19.10.1.02,14.04,12.06,11.015,20.022,27.028,32]dotriaconta-1(31),2(14),3,6,8,10,12,15,17,19,22,24,26,28(32),29-pentadecaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C4=CCC(C=C4)N5C6=CC=CC=C6C7=CC8=C(C=C75)C9=CC=CC=C9C1=CC=CC2=C1N8C1=CC=CC=C21)C

DOS

IR

Vibrations