Geometry & MOs

Info

ID:

324978

PubChem CID:

126679015

Reduced:

O2N5H13C14 (1)

Stoich.:

A2B5C13D14 (1)

Weight, g/mol:

702.241962

ΔHf, kcal/mol:

28.58

Dipole, Da:

2.79

IP(EA), eV:

 -9.06(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-phenyl-18-[4-(4-phenylquinazolin-2-yl)phenyl]-4-oxa-15,18-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.019,24]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),19,21,23,26-dodecaene

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=C1)CC2=CC(=NC3=NNN=C23)N

DOS

IR

Vibrations