Geometry & MOs

Info

ID:	448770
PubChem CID:	135293496
Reduced:	ON8C22H24 (1)
Stoich.:	AB8C22D24 (1)
Weight, g/mol:	624.279332
ΔH_f, kcal/mol:	84.5
Dipole, Da:	4.16
IP(EA), eV:	-8.84(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-cyclohexa-1,3-dien-1-ylethyl)phenyl] bis[4-(1-phenylethyl)phenyl] phosphite

Drug info:

PubChemData

Smile

CC1=C(N=C(C=C1)N2C3=CC(=NC=C3C=N2)C4=NC(=CN=C4)C)N5C[C@H](CCC5O)N

DOS

IR

Vibrations