Geometry & MOs

Info

ID:	378240
PubChem CID:	134224316
Reduced:	N5H31C48 (1)
Stoich.:	A5B31C48 (1)
Weight, g/mol:	476.200097
ΔH_f, kcal/mol:	307.99
Dipole, Da:	1.18
IP(EA), eV:	-8.08(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzyl-6-phenylpyrimidin-2-yl)-4,6-diphenylpyrimidine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NC(=NC(=N2)N3C4=CC=CC=C4C5=C3C6=C(C=C5)C7=CC=CC=C7N6C8=CC=CC=C8)C9=CC1=CC=CC=C1C=C9)/C=C\C#C

DOS

IR

Vibrations