Geometry & MOs

Info

ID:	187045
PubChem CID:	77524691
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	495.238514
ΔH_f, kcal/mol:	-117.14
Dipole, Da:	4.02
IP(EA), eV:	-9.11(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4a-benzyl-7-(pyridin-2-ylmethoxy)-2-(3,3,3-trifluoropropyl)-1,3,4,9,10,10a-hexahydrophenanthren-2-ol

Drug info:

PubChemData

Smile

C1C(C(CN1CC2=CC=CC=C2)C(=O)N)CNC(=O)O

DOS

IR

Vibrations