Geometry & MOs

Info

ID:	310341
PubChem CID:	126579040
Reduced:	NH17C25 (2)
Stoich.:	AB17C25 (2)
Weight, g/mol:	662.272199
ΔH_f, kcal/mol:	225.96
Dipole, Da:	2.68
IP(EA), eV:	-8.93(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(2-phenylphenyl)quinazoline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=NC4=CC=CC=C43)C5=CC=CC(=C5)C6=CC(=CC=C6)C7=CC(=CC(=C7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations