Geometry & MOs

Info

ID:	45815
PubChem CID:	10517831
Reduced:	N5C17H19 (1)
Stoich.:	A5B17C19 (1)
Weight, g/mol:	293.177964
ΔH_f, kcal/mol:	81.23
Dipole, Da:	6.59
IP(EA), eV:	-8.8(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-ol

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=N1)N3CCCCC3)NC(=N2)C4=CC=CC=C4

DOS

IR

Vibrations