Geometry & MOs

Info

ID:

446302

PubChem CID:

135273901

Reduced:

SN4H22C37 (1)

Stoich.:

AB4C22D37 (1)

Weight, g/mol:

537.220498

ΔHf, kcal/mol:

210.08

Dipole, Da:

2.01

IP(EA), eV:

 -7.94(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15,15-dimethyl-5-(4-phenylquinazolin-2-yl)-5-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-1(23),2(14),3,6,8,10,12,16,18,20(24),21-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)N3C4=CC=CC=C4C5=CC6=C(C=C53)C7=CC=CC8=C7C(=CC=C8)S6)C9=CC=CC=C9

DOS

IR

Vibrations