Geometry & MOs

Info

ID:

324804

PubChem CID:

126678376

Reduced:

NO2H11C18 (1)

Stoich.:

AB2C11D18 (1)

Weight, g/mol:

666.205576

ΔHf, kcal/mol:

70.93

Dipole, Da:

3.06

IP(EA), eV:

 -9.02(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-phenyl-24-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=CC3=C2OC4=CC=CC=C34)N=O

DOS

IR

Vibrations