Geometry & MOs

Info

ID:	392887
PubChem CID:	135018300
Reduced:	NPO3H34C38 (1)
Stoich.:	ABC3D34E38 (1)
Weight, g/mol:	383.224915
ΔH_f, kcal/mol:	-12.88
Dipole, Da:	8.21
IP(EA), eV:	-8.38(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R)-1,3,3-trimethyl-2-[2-(6-phenylpyridin-2-yl)phenyl]bicyclo[2.2.1]heptan-2-ol

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N([C@H]2C[C@H](OC2=O)C3=CC=CC=C3)C(=O)C=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations