Geometry & MOs

Info

ID:	224629
PubChem CID:	85345416
Reduced:	NSO3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	293.177964
ΔH_f, kcal/mol:	-117.25
Dipole, Da:	1.26
IP(EA), eV:	-8.77(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)-phenylmethanol

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC(N1)C(=O)SC2=CC=C(C=C2)C

DOS

IR

Vibrations