Geometry & MOs

Info

ID:	317484
PubChem CID:	126638617
Reduced:	O2N5C21H21 (1)
Stoich.:	A2B5C21D21 (1)
Weight, g/mol:	810.347095
ΔH_f, kcal/mol:	5.8
Dipole, Da:	4.94
IP(EA), eV:	-8.78(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[2-[3,5-bis[2-[4-(5-aminopyridin-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]pyridin-3-amine

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=CC3=CN=CN=C32)CCC4=CC5=C(C=C4)C=CC(=N5)N)O

DOS

IR

Vibrations