Geometry & MOs

Info

ID:	49938
PubChem CID:	11538261
Reduced:	O2N4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	386.152736
ΔH_f, kcal/mol:	6.68
Dipole, Da:	6.04
IP(EA), eV:	-8.68(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,4R)-7,7-dimethyl-1-[[(E)-3,3,3-trifluoro-2-(4-methoxyphenyl)prop-1-enyl]sulfanylmethyl]bicyclo[2.2.1]heptan-2-ol

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC(=C2)C(=O)N)C(=O)C3=C(N=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations