Geometry & MOs

Info

ID:	298880
PubChem CID:	117662686
Reduced:	N2H17C25 (2)
Stoich.:	A2B17C25 (2)
Weight, g/mol:	672.300145
ΔH_f, kcal/mol:	226.1
Dipole, Da:	1.46
IP(EA), eV:	-8.38(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-bis[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C)C2=CC(=CC=C2)C3=CC(=CC(=C3)C4=NC(=NC(=N4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC8=CC=CC9=C8C1=C(C=CC=C71)C=C9

DOS

IR

Vibrations